SCHEMBL6228752

SCHEMBL6228752

O=S1(=O)[C][C]c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
ELANE P08246 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
BCHE P06276 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL9551845 0.70 GPR3 (0.39) GPR3KMT2AMEN1NOX1CA12
SCHEMBL5485319 0.63 GPR3 (0.37) GPR3KMT2AMEN1NOX1CA12
SCHEMBL1450925 0.63 GPR3 (0.37) GPR3KMT2AMEN1NOX1CA12
SCHEMBL30951022 0.62 GPR3 (0.71) GPR3KMT2AMEN1NOX1CA12
SCHEMBL88079 0.62
SCHEMBL3280918 0.62 GPR3 (0.71) GPR3KMT2AMEN1NOX1CA12
SCHEMBL1268706 0.62 GPR3 (0.36) GPR3KMT2AMEN1NOX1CA12
SCHEMBL2918638 0.62 GPR3 (0.36) GPR3KMT2AMEN1NOX1
SCHEMBL1992607 0.62 CA12 (0.38) GPR3KMT2AMEN1NOX1CA12
Water SCHEMBL19583248 0.60 GPR3 (0.67) GPR3KMT2AMEN1NOX1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 EP disclosed
EP-1515708-A1 COMBINATIONS OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION Pfizer Products Inc. (US) 2005-03-23 EP disclosed
US-20040220274-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-11-04 US disclosed
EP-0721778-B1 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER (US) 2004-03-03 EP disclosed
US-6686390-B2 DIHYDROFURANONYL- OR DIHYDROPYRROLINONYL-PHENYL COMPOUNDS CONTAINING SUBSTITUTED THIO, SULFOXIDE OR SULFONYL GROUPS DR. REDDY'S LABORATORIES LIMITED (IN) 2004-02-03 US disclosed
US-20040006135-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-08 US disclosed
US-20040001895-A1 Combination treatment for depression and anxiety PFIZER INC. 2004-01-01 US disclosed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 WO disclosed
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO disclosed
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists PFIZER INC. 2003-08-28 US disclosed
EP-0773026-A2 NK-1 receptor antagonists for the treatment of cancer PFIZER INC. (US) 1997-05-14 EP disclosed
EP-0721778-A2 NK-1 receptor antagonists for the treatment of neuronal injury and stroke PFIZER INC. (US) 1996-07-17 EP disclosed
WO-1996014845-A1 NK-1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EYE DISORDERS PFIZER INC. (US) 1996-05-23 WO disclosed
EP-0659409-A2 Substance 1 antagonists for the inhibition of angiogenesis PFIZER INC. (US) 1995-06-28 EP disclosed
EP-0655246-A1 Substance P antagonists for the treatment of disorders caused by helicobacter pylori or other spiral urease-positive gram-negative bacteria PFIZER INC. (US) 1995-05-31 EP disclosed
EP-0653208-A2 Pharmaceutical agents for treatment or prevention of sunburn PFIZER INC. (US) 1995-05-17 EP disclosed
US-5393762-A Pharmaceutical agents for treatment of emesis PFIZER INC. (US) 1995-02-28 US disclosed
EP-0627221-A2 Substance P antagonists for the treatment of emesis PFIZER INC. (US) 1994-12-07 EP disclosed
US-5340826-A Pharmaceutical agents for treatment of urinary incontinence PFIZER INC. (US) 1994-08-23 US disclosed
EP-0610021-A1 Pharmaceutical agents for treatment of urinary incontinence PFIZER INC. (US) 1994-08-10 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 (4 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-20040006135-A1 Combination treatment for depression and anxiety TACR1, NPSR1, HTR3A GPR3 34/4885KMT2A 1400/4885MEN1 2556/4885
US-20030162766-A1 Aminomethylene substituted non-aromatic heterocycles and use as substance P antagonists NPY1R, OPRK1, TACR1 GPR3 81/4885KMT2A 1294/4885MEN1 3535/4885
US-20040001895-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 GPR3 328/4885KMT2A 1083/4885MEN1 2833/4885
US-20040220274-A1 Combination treatment for depression and anxiety TACR1, NPSR1, ADORA1 GPR3 267/4885KMT2A 1335/4885MEN1 2336/4885

“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.