SCHEMBL1603596

SCHEMBL1603596

CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CO1)C(=O)C2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 2/20 0.56
F2 P00734 2/20 0.55
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
CXCR3 P49682 1/20 0.52

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
SCHEMBL416659 1.00 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL306514 1.00 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL158053 1.00 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL29652034 0.83 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL362333 0.83 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL6337655 0.83 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL6335926 0.83 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL6842010 0.83 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1
SCHEMBL29040265 0.83 SMN1; SMN2 (0.82) SMN1; SMN2KMT2AMEN1KDM4EL3MBTL1
SCHEMBL11623286 0.83 SMN1; SMN2 (0.82) SMN1; SMN2KMT2AMEN1KDM4EL3MBTL1

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 9 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
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-8716494-B2 Pyrrolidinone carboxamide derivatives CHEMOCENTRYX, INC. (US) 2014-05-06 US disclosed
US-20130237514-A1 PYRROLIDINONE CARBOXAMIDE DERIVATIVES CHEMOCENTRYX, INC. (US) 2013-09-12 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
US-8293925-B2 Pyrrolidinone carboxamide derivatives CHEMOCENTRYX, INC. (US) 2012-10-23 US disclosed
US-20110082172-A1 PYRROLIDINONE CARBOXAMIDE DERIVATIVES CHEMOCENTRYX, INC. (US) 2011-04-07 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 (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-20130203729-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, GUCY1B1 SMN1; SMN2 626/4885KMT2A 4489/4885MEN1 905/4885
US-20110082172-A1 PYRROLIDINONE CARBOXAMIDE DERIVATIVES CMKLR2, CMKLR1, GPR3 SMN1; SMN2 4402/4885KMT2A 1682/4885MEN1 2606/4885
US-20130237514-A1 PYRROLIDINONE CARBOXAMIDE DERIVATIVES CMKLR2, CMKLR1, GPR3 SMN1; SMN2 4402/4885KMT2A 1682/4885MEN1 2606/4885

“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.