SCHEMBL3073197

SCHEMBL3073197

CC(C)(C)Sc1cccnc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.50
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
AGER Q15109 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MYC P01106 1/20 0.45
CYP1A2 P05177 1/20 0.45
SLC22A12 Q96S37 2/20 0.41
ASPH Q12797 2/20 0.39
KDM8 Q8N371 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.38
NAPRT Q6XQN6 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3086534 0.82 L3MBTL1 (0.69) KDM4EALDH1A1L3MBTL1ALOX15NPSR1
SCHEMBL1403609 0.80 L3MBTL1 (0.67) KDM4EALDH1A1L3MBTL1MAPTALOX15
Hydrochloric Acid SCHEMBL10515336 0.79 L3MBTL1 (0.65) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL17984707 0.78 L3MBTL1 (0.37) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL14676586 0.76 ALDH1A1 (0.50) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL12418384 0.75 KDM4E (0.49) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL298750 0.74 ALDH1A1 (0.52) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL5241823 0.73 KDM4E (0.55) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL14890349 0.72 KDM4E (0.62) KDM4EALDH1A1L3MBTL1MAPTALOX15
SCHEMBL4755990 0.72 ALDH1A1 (0.55) KDM4EALDH1A1L3MBTL1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111756-B1 PEST CONTROL AGENTS MEIJI SEIKA PHARMA CO LTD (JP) 2017-08-02 EP disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
CN-101835777-A Carbacephem beta-lactam antibiotics ACHAOGEN INC 2010-09-15 CN disclosed
EP-2205600-A1 CARBACEPHEM ß -LACTAM ANTIBIOTICS Achaogen, Inc. (US) 2010-07-14 EP disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
WO-2009055696-A1 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2009-04-30 WO disclosed
WO-2009055696-A1 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2009-04-30 WO disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 WO disclosed
EP-1222194-B1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF TRINE PHARMACEUTICALS INC (US) 2005-06-15 EP disclosed
US-6723716-B1 BACTERICIDE FOR STAPHYLOCOCCUS ESSENTIAL THERAPEUTICS, INC. 2004-04-20 US disclosed
EP-1222194-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF Essential Therapeutics, Inc. (US) 2002-07-17 EP disclosed
WO-2001021623-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF ESSENTIAL THERAPEUTICS, INC. (US) 2001-03-29 WO 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 (3 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-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M KDM4E 1553/4885ALDH1A1 2468/4885L3MBTL1 304/4885
US-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS KDM4E 1971/4885ALDH1A1 2040/4885L3MBTL1 220/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI KDM4E 960/4885ALDH1A1 1220/4885L3MBTL1 628/4885

“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.