SCHEMBL1189466

SCHEMBL1189466

CC(C)(C)c1cc(Br)cc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.50
RXRB P28702 4/20 0.50
RXRG P48443 1/20 0.50
NOTUM Q6P988 1/20 0.46
SRD5A2 P31213 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
TTR P02766 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4421692 0.98 RXRA (0.49) RXRARXRBRXRGNOTUMSRD5A2
SCHEMBL3072277 0.86 NOTUM (0.45) RXRARXRBRXRGNOTUMSRD5A2
SCHEMBL166878 0.85 RXRB (0.59) RXRARXRBRXRGSRD5A2SMN1; SMN2
SCHEMBL501957 0.85 RXRB (0.64) RXRARXRBRXRGSRD5A2SMN1; SMN2
SCHEMBL23411618 0.85 NOTUM (0.51) RXRARXRBRXRGNOTUMSRD5A2
SCHEMBL29728800 0.85 NOTUM (0.51) RXRARXRBRXRGNOTUMSRD5A2
SCHEMBL23411745 0.85 NOTUM (0.51) RXRARXRBRXRGNOTUMSRD5A2
SCHEMBL29728806 0.85 NOTUM (0.51) RXRARXRBRXRGNOTUMSRD5A2
SCHEMBL12187515 0.84 NOTUM (0.46) RXRARXRBRXRGNOTUMSMN1; SMN2
Hydrochloric Acid SCHEMBL11879619 0.83 RXRB (0.57) RXRARXRBRXRGSRD5A2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023061263-A1 SHP2 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2023-04-20 WO disclosed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 US disclosed
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF OCEAN UNIVERSITY OF CHINA (CN) 2021-01-14 US disclosed
EP-3394059-B1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS CHIESI FARM SPA (IT) 2020-11-25 EP disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 US disclosed
EP-3394059-A1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2018-10-31 EP disclosed
US-10100050-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2018-10-16 US disclosed
WO-2017108737-A1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-29 WO disclosed
US-20170183345-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-29 US disclosed
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2012-01-12 US disclosed
EP-2240487-B1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI SA (FR) 2011-12-14 EP disclosed
US-8076336-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
EP-2240487-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS Sanofi-Aventis (FR) 2010-10-20 EP disclosed
EP-2240486-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS Sanofi-Aventis (FR) 2010-10-20 EP disclosed
WO-2009097971-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed
WO-2009097970-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 RXRA 3073/4885RXRB 3217/4885RXRG 3121/4885
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 RXRA 4651/4885RXRB 4694/4885RXRG 4551/4885
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A RXRA 1791/4885RXRB 1748/4885RXRG 1862/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 RXRA 4651/4885RXRB 4694/4885RXRG 4551/4885
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 RXRA 2080/4885RXRB 2530/4885RXRG 2237/4885
US-10100050-B2 Kinase inhibitors MAPK1, MAP3K1, MAP3K6 RXRA 1744/4885RXRB 1459/4885RXRG 1620/4885
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 RXRA 3073/4885RXRB 3217/4885RXRG 3121/4885
US-20170183345-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K6 RXRA 1744/4885RXRB 1459/4885RXRG 1620/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 RXRA 2498/4885RXRB 2516/4885RXRG 2879/4885
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF TPMT, PBRM1, PGM2 RXRA 1568/4885RXRB 1630/4885RXRG 2001/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.