SCHEMBL4926455

SCHEMBL4926455

CS(=O)(=O)OC(C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
SRC P12931 2/20 0.47
CYP2D6 P10635 1/20 0.45
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
PPARA Q07869 4/20 0.43
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.41
PPARG P37231 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
SCHEMBL9342917 1.00 ALDH1A1 (0.49) ALDH1A1CYP3A4SRCCYP2D6LMNA
SCHEMBL19179659 0.86 SRC (0.48) ALDH1A1CYP3A4SRCCYP2D6LMNA
SCHEMBL2485143 0.85 KMT2A (0.58) ALDH1A1CYP3A4LMNAKMT2A
SCHEMBL2488220 0.85 KMT2A (0.58) ALDH1A1CYP3A4LMNAKMT2A
SCHEMBL31292166 0.85 ALDH1A1 (0.46) ALDH1A1CYP3A4SRCCYP2D6LMNA
SCHEMBL16446497 0.85 ALDH1A1 (0.46) ALDH1A1CYP3A4SRCCYP2D6LMNA
SCHEMBL17485220 0.84 SRC (0.52) ALDH1A1CYP3A4SRCCYP2D6LMNA
SCHEMBL19179660 0.84 SRC (0.52) ALDH1A1CYP3A4SRCCYP2D6LMNA
SCHEMBL384247 0.83 ALDH1A1 (0.67) ALDH1A1CYP3A4LMNAKMT2A
SCHEMBL7638229 0.83 PPARA (0.46) ALDH1A1CYP3A4SRCCYP2D6PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4317920-A ANTIRHEUMATIC AGENTS, ANTIINFLAMMATORY AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-03-02 US claimed
CN-100519528-C Compounds with analgesic effect ASTRA PHARMACEUTICALS INC (CA) 2009-07-29 CN disclosed
US-20080176903-A1 Novel Compounds with Analgesic Effect ASTRAZENECA CANADA INC. (CA) 2008-07-24 US disclosed
US-7312336-B2 Compounds with analgesic effect ASTRAZENECA CANADA INC. (CA) 2007-12-25 US disclosed
US-20070088032-A1 Processes for the Preparation of Benzoimidazole Derivatives TOM NORMA J 2007-04-19 US disclosed
EP-1660008-A2 THERAPEUTIC USE OF G53135-05(FGF-20) IN RADIATION PROTECTION Curagen Corporation (US) 2006-05-31 EP disclosed
EP-1626696-A2 NOVEL FIBROBLAST GROWTH FACTORS AND METHODS OF USE THEREOF Curagen Corporation (US) 2006-02-22 EP disclosed
US-6974825-B1 Compounds with analgesic effect ASTRAZENECA CANADA INC. (CA) 2005-12-13 US disclosed
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-20050256039-A1 Novel fibroblast growth factors and methods of use thereof CURAGEN CORP 2005-11-17 US disclosed
US-5264419-A N-substituted cycloalkyl and polycycloalkyl α-substituted TRP derivatives WARNER-LAMBERT COMPANY (US) 1993-11-23 US disclosed
EP-0546108-A4 PRO-DRUGS FOR CCK ANTAGONISTS 1993-09-22 EP disclosed
EP-0547178-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1993-06-23 EP disclosed
EP-0546108-A1 PRO-DRUGS FOR CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1993-06-16 EP disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed
WO-1992004038-A1 PRO-DRUGS FOR CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed
WO-1992004320-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOALKYL ALPHA-SUBSTITUTED Trp DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed
US-4465855-A ANTIREUMATIC & ANTIINFLAMMATORIES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1984-08-14 US disclosed
US-4385004-A Esters of ortho-allylphenol useful for the preparation of arylacetic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1983-05-24 US disclosed
US-4317920-A ANTIRHEUMATIC AGENTS, ANTIINFLAMMATORY AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-03-02 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 (2 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-20070088032-A1 Processes for the Preparation of Benzoimidazole Derivatives CCNI, CCNT1, CCNE1 ALDH1A1 292/4885CYP3A4 63/4885SRC 2134/4885
US-20080176903-A1 Novel Compounds with Analgesic Effect OPRL1, OPRK1, OPRM1 ALDH1A1 656/4885CYP3A4 1186/4885SRC 3309/4885

“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.