SCHEMBL5043419

SCHEMBL5043419

O=Cc1ccc(SCCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA13 Q8N1Q1 1/20 0.56
MAOA P21397 3/20 0.54
MAOB P27338 3/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC1 Q13547 1/20 0.47
ALDH1A1 P00352 5/20 0.46
CYP2A6 P11509 1/20 0.46
MCL1 Q07820 3/20 0.46
BCL2A1 Q16548 3/20 0.46
MAPK1 P28482 1/20 0.45
RAB9A P51151 2/20 0.44

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
SCHEMBL9371806 0.95 CYP1A2 (0.56) CA12CA1CA2CA7CA13
SCHEMBL10480852 0.93 CYP1A2 (0.54) CA12CA1CA2CA7CA13
SCHEMBL9373514 0.91 CA2 (0.47) CA12CA1CA2CA7CA13
SCHEMBL10480851 0.91 CYP1A2 (0.53) CA12CA1CA2CA7CA13
SCHEMBL15795172 0.89 PLA2G4B (0.51) CA12CA1CA2CA7CA13
SCHEMBL9373207 0.84 HSD17B10 (0.53) CA12CA1CA2CA7CA13
SCHEMBL510481 0.83 MAOA (0.53) MAOAMAOBALDH1A1CYP2A6MEN1
SCHEMBL2226596 0.80 ALDH1A1 (0.59) MAOAMAOBHDAC1ALDH1A1CYP2A6
SCHEMBL14369268 0.80 ALDH1A1 (0.59) MAOAMAOBHDAC1ALDH1A1CYP2A6
SCHEMBL223719 0.80 CYP1A2 (0.76) CA12CA1CA2CA7CA13

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
EP-0946501-B1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER (US) 2006-05-31 EP disclosed
US-6998423-B2 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. (US) 2006-02-14 US disclosed
EP-1601351-A1 USE OF EP2 SELECTIVE RECEPTOR AGONISTS IN MEDICAL TREATMENT Pfizer Products Inc. (US) 2005-12-07 EP disclosed
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PFIZER INC. 2005-09-15 US disclosed
WO-2004078169-A1 USE OF EP2 SELECTIVE RECEPTOR AGONISTS IN MEDICAL TREATMENT PFIZER PRODUCTS INC. (US) 2004-09-16 WO disclosed
US-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC 2004-09-09 US disclosed
US-6649657-B2 Administering amide to treat osteoporosis PFIZER INC. 2003-11-18 US disclosed
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLEY Q (US) 2003-06-05 US disclosed
EP-1000619-A2 Method for treating glaucoma Pfizer Products Inc. (US) 2000-05-17 EP disclosed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 WO disclosed
EP-0332331-B1 Thiazolidinedione hypoglycemic agents PFIZER (US) 1994-02-09 EP disclosed
US-5223522-A Anticholesterol agents PFIZER INC. (US) 1993-06-29 US disclosed
US-5120754-A Anticholesterol and antidiabetic agents PFIZER INC. (US) 1992-06-09 US disclosed
US-5061717-A ANTICHOLESTEROL AGENTS PFIZER INC. (US) 1991-10-29 US disclosed
WO-1989008650-A1 THIAZOLIDINEDIONE HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1989-09-21 WO disclosed
EP-0332331-A2 Thiazolidinedione hypoglycemic agents PFIZER INC. (US) 1989-09-13 EP 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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 CA12 4638/4885CA1 3559/4885CA2 2600/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 CA12 4638/4885CA1 3559/4885CA2 2600/4885
US-20050203086-A1 Methods of treatment using an EP2 selective receptor agonist PTGER2, PTGES2, PTGFR CA12 4228/4885CA1 4613/4885CA2 1473/4885

“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.