SCHEMBL4025455

SCHEMBL4025455

CC#CC(O)C1(Cc2cccs2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.38
CTSC P53634 2/20 0.37
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL4021917 0.75 CTSC (0.37) HSD11B1CTSCCYP3A4CYP2C19ADRA2A
SCHEMBL6781555 0.69 HSD11B1 (0.33) HSD11B1CTSCCYP3A4CYP2D6CYP2C9
SCHEMBL5507377 0.66 HSD11B1 (0.39) HSD11B1CTSCCYP3A4CYP2C19ADRA2A
SCHEMBL4028733 0.66 CTSC (0.31) CTSC
SCHEMBL27593899 0.65 HSD11B1 (0.40) HSD11B1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30960368 0.65 GRIN2B (0.44) HSD11B1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17033075 0.65 HSD11B1 (0.43) HSD11B1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17031763 0.64 TAAR1 (0.38) HSD11B1CTSCCYP3A4CYP2D6CYP2C9
SCHEMBL4025459 0.63 SLC6A3 (0.35) KMT2A
SCHEMBL6664040 0.63 CTSC (0.36) HSD11B1CTSCCYP3A4CYP2D6CYP2C9

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 13 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
EP-1438104-B1 CO-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS ALLERGAN INC (US) 2006-04-05 EP 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
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
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 HSD11B1 390/4885CTSC 3918/4885CYP3A4 264/4885
US-20020187961-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER1, PTGER3 HSD11B1 337/4885CTSC 3367/4885CYP3A4 1287/4885
US-20070219262-A1 omega-Cycloalkyl 17-Heteroaryl Prostaglandin E2 Analogs as EP2-Receptor Agonists PTGER4, PTGER2, LTB4R2 HSD11B1 355/4885CTSC 4423/4885CYP3A4 96/4885
US-20050113338-A1 Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER4, PTGER2, LTB4R2 HSD11B1 321/4885CTSC 4524/4885CYP3A4 98/4885
US-20040106580-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER4, PTGER1 HSD11B1 391/4885CTSC 3888/4885CYP3A4 264/4885

“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.