SCHEMBL4021576

SCHEMBL4021576

CCOC(=O)C1(Cc2cccs2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HSD11B1 P28845 3/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
TRPM8 Q7Z2W7 1/20 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
SCHEMBL13278551 0.88 OPRM1 (0.50) SMN1; SMN2HSD17B10HSD11B1ALDH1A1KDM4E
SCHEMBL14074880 0.82 HSD11B1 (0.48) SMN1; SMN2HSD11B1ALDH1A1KDM4EMEN1
SCHEMBL13278723 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7240654 0.77 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3718479 0.77 KDM4E (0.64) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18347395 0.76 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14074888 0.75 HSD11B1 (0.49) HSD11B1ALDH1A1KDM4EPOLBLMNA
SCHEMBL6627628 0.74 KDM4E (0.64) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18347410 0.73 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14074899 0.72 KDM4E (0.62) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514462-B2 ω-Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. (US) 2009-04-07 US disclosed
US-20070219262-A1 omega-Cycloalkyl 17-Heteroaryl Prostaglandin E2 Analogs as EP2-Receptor Agonists ALLERGAN, INC. 2007-09-20 US disclosed
US-7223746-B2 Omega cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. (US) 2007-05-29 US disclosed
US-7022726-B2 ω-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. (US) 2006-04-04 US disclosed
EP-1442033-B1 OMEGA-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS ALLERGAN INC (US) 2005-09-28 EP disclosed
US-20050113338-A1 Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. 2005-05-26 US disclosed
EP-1438104-A1 CO-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS Allergan, Inc. (US) 2004-07-21 EP disclosed
US-20040106580-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN INC. 2004-06-03 US disclosed
US-6710072-B2 VISION DEFECTS ALLERGAN, INC. 2004-03-23 US disclosed
US-20030130239-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. 2003-07-10 US disclosed
US-6586462-B2 ω-Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. 2003-07-01 US disclosed
WO-2003037433-A1 CO-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS ALLERGAN, INC. (US) 2003-05-08 WO disclosed
US-20020187961-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. 2002-12-12 US disclosed
US-6376533-B1 VISION DEFECTS ALLERGAN SALES, INC. 2002-04-23 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 (5 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-20030130239-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER4, PTGER1 SMN1; SMN2 4532/4885HSD17B10 436/4885HSD11B1 390/4885
US-20020187961-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER1, PTGER3 SMN1; SMN2 4248/4885HSD17B10 548/4885HSD11B1 337/4885
US-20070219262-A1 omega-Cycloalkyl 17-Heteroaryl Prostaglandin E2 Analogs as EP2-Receptor Agonists PTGER4, PTGER2, LTB4R2 SMN1; SMN2 4651/4885HSD17B10 585/4885HSD11B1 355/4885
US-20050113338-A1 Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER4, PTGER2, LTB4R2 SMN1; SMN2 4796/4885HSD17B10 502/4885HSD11B1 321/4885
US-20040106580-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER4, PTGER1 SMN1; SMN2 4550/4885HSD17B10 450/4885HSD11B1 391/4885

“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.