SCHEMBL1340970

SCHEMBL1340970

Cc1ccc(-c2sccc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MCL1 Q07820 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
NR4A1 P22736 1/20 0.49
RECQL P46063 1/20 0.49
ESR2 Q92731 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTGS2 P35354 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
AKR1C3 P42330 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
CSNK2A1 P68400 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL3316024 0.82 KMT2A (0.50) MEN1KMT2AMCL1POLBMAPT
SCHEMBL15276735 0.81 MEN1 (0.50) MEN1KMT2APOLBMAPTNR4A1
SCHEMBL1340677 0.81 PTGS1 (0.53) MEN1KMT2APTGS2ALDH1A1KDM4E
SCHEMBL14564435 0.80 ALDH1A1 (0.49) MEN1KMT2APOLBMAPTTDP1
SCHEMBL11629336 0.80 RAB9A (0.49) MEN1KMT2AMCL1POLBMAPT
SCHEMBL7076248 0.80 SMN1; SMN2 (0.54) POLBMAPTRECQLPTGS2SMN1; SMN2
SCHEMBL1339482 0.79 AKR1C2 (0.50) MEN1KMT2AMCL1POLBMAPT
SCHEMBL15775800 0.77 ACMSD (0.46) MEN1KMT2APOLBMAPTNR4A1
SCHEMBL1490909 0.77 CYP2C8 (0.45) ALDH1A1KDM4EHPGDUSP2HSD17B10
SCHEMBL14134217 0.76 MAPT (0.44) MEN1KMT2AMAPTTDP1PTGS2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849035-A Phenyl heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2018-03-27 CN disclosed
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US disclosed
CN-102083827-A Thiazolidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-06-01 CN disclosed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 US disclosed
CN-101790515-A trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD 2010-07-28 CN disclosed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 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 (2 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 MEN1 412/4885KMT2A 1770/4885MCL1 3042/4885
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA MEN1 4329/4885KMT2A 3046/4885MCL1 2730/4885

“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.