SCHEMBL14697133

SCHEMBL14697133

CCOC(=O)C1CCC(c2nc(-c3cc(C)ccc3O)cs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
MAPT P10636 5/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 5/20 0.41
GAA P10253 3/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
MDM2 Q00987 1/20 0.38
MAPK1 P28482 1/20 0.38
THRB P10828 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 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
SCHEMBL15164459 0.90 MAPT (0.44) MAPTALDH1A1GAAHSD17B10USP2
SCHEMBL15164458 0.90 MAPT (0.44) CYP19A1MAPTALDH1A1GAAHSD17B10
SCHEMBL14709343 0.87 ALDH1A1 (0.39) MAPTALDH1A1GAAHSD17B10USP2
SCHEMBL14709509 0.87 KDM4E (0.46) MAPTALDH1A1GAAHSD17B10USP2
SCHEMBL3231304 0.82 SMN1; SMN2 (0.52) MAPTPOLBALDH1A1GAAHSD17B10
SCHEMBL19107655 0.80 CYP19A1 (0.46) CYP19A1MAPTALDH1A1USP2NPC1
SCHEMBL14709713 0.79 CYP19A1 (0.40) CYP19A1MAPTPOLBALDH1A1GAA
SCHEMBL14696985 0.79 MAPT (0.48) MAPTPOLBALDH1A1GAAHSD17B10
SCHEMBL14697209 0.78 CDK9 (0.47) CYP19A1MAPTPOLBALDH1A1GAA
SCHEMBL2589678 0.78 MAPT (0.42) MAPTPOLBALDH1A1GAAHSD17B10

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
EP-2766360-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2017-07-12 EP disclosed
EP-2766360-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2017-07-12 EP disclosed
US-8815857-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-26 US disclosed
US-8815857-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-26 US disclosed
US-8815857-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-26 US disclosed
EP-2766360-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Boehringer Ingelheim International GmbH (DE) 2014-08-20 EP disclosed
US-20130203729-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 US disclosed
US-20130203729-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 US disclosed
US-20130203729-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 US disclosed
WO-2013025425-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-21 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 (1 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-20130203729-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, GUCY1B1 CYP19A1 2762/4885MAPT 4258/4885POLB 3897/4885

“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.