SCHEMBL6167975

SCHEMBL6167975

[CH]1CCCCC(Cc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.47
SLC18A3 Q16572 1/20 0.44
CCR3 P51677 2/20 0.43
POLB P06746 1/20 0.43
CARM1 Q86X55 2/20 0.40
PRMT6 Q96LA8 2/20 0.40
PRMT3 O60678 1/20 0.40
PRMT1 Q99873 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL7654078 0.94 GBA1 (0.48) GBA1SLC18A3CCR3POLBCARM1
SCHEMBL6167695 0.83 GBA1 (0.53) GBA1SLC18A3CCR3CARM1PRMT6
SCHEMBL316482 0.82 GBA1 (0.65) GBA1SLC18A3CCR3POLBCARM1
SCHEMBL6290794 0.80 GBA1 (0.63) GBA1SLC18A3CCR3POLBCARM1
SCHEMBL29013918 0.80 GBA1 (0.63) GBA1SLC18A3CCR3POLBCARM1
SCHEMBL158625 0.80 GBA1 (0.63) GBA1SLC18A3CCR3POLBCARM1
SCHEMBL28374076 0.80 GBA1 (0.63) GBA1SLC18A3CCR3POLBCARM1
SCHEMBL8137977 0.80 GBA1 (0.63) GBA1SLC18A3CCR3POLBCARM1
SCHEMBL1119456 0.80 GBA1 (0.63) GBA1SLC18A3CCR3POLBCARM1
SCHEMBL113380 0.80 GBA1 (0.63) GBA1SLC18A3CCR3POLBCARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1273582-B1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2005-06-29 EP disclosed
EP-1273580-B1 Sulfonyl heteroaryl triazoles as anti-inflammatory and analgesic agents PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-6900230-B2 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents PFIZER INC. (US) 2005-05-31 US disclosed
US-6875779-B2 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents PFIZER INC. (US) 2005-04-05 US disclosed
EP-1233959-B1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PROD INC (US) 2005-03-16 EP disclosed
US-20040198735-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2004-10-07 US disclosed
US-6753332-B2 CYCLOOXYGENASE INHIBITORS PFIZER, INC. 2004-06-22 US disclosed
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-12-25 US disclosed
US-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2003-07-03 US disclosed
US-20030119835-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents PFIZER PRODUCTS, INC. 2003-06-26 US disclosed
US-20030119836-A1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents SAKYA SUBAS M (US) 2003-06-26 US disclosed
US-6531492-B1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-03-11 US disclosed
EP-1273580-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory and analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP disclosed
EP-1273576-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP disclosed
EP-1273582-A1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2003-01-08 EP disclosed
EP-1233959-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS Pfizer Products Inc. (US) 2002-08-28 EP disclosed
WO-2001040216-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO 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-20030125368-A1 Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents SULT2A1, AHR, SULT1A1 GBA1 2080/4885SLC18A3 3927/4885CCR3 328/4885
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PTGS1, SULT2A1, PTGES3 GBA1 2296/4885SLC18A3 4649/4885CCR3 500/4885
US-20040198735-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SULT2A1, SULT1A1, SULT1E1 GBA1 1781/4885SLC18A3 3841/4885CCR3 302/4885
US-20030119836-A1 Heterocyclo-alkylsulfonyl pyrazoles as anti-inflammatory/analgesic agents PTGS1, SULT2A1, AHR GBA1 2074/4885SLC18A3 4677/4885CCR3 811/4885
US-20030119835-A1 Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents SULT2A1, SULT1A1, SULT1E1 GBA1 1781/4885SLC18A3 3841/4885CCR3 302/4885

“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.