SCHEMBL3530451

SCHEMBL3530451

CS(=O)(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.71
POLB P06746 2/20 0.62
CASP6 P55212 1/20 0.62
TSHR P16473 2/20 0.61
HCAR3 P49019 4/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.57
THRB P10828 6/20 0.56
THRA P10827 3/20 0.55
NPC1 O15118 1/20 0.54

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
SCHEMBL6450193 0.89 VCAM1 (0.59) VCAM1POLBCASP6TSHRHCAR3
SCHEMBL18113472 0.87 CASP6 (0.62) VCAM1POLBCASP6TSHRHCAR3
SCHEMBL9185447 0.85 CASP6 (0.64) VCAM1POLBCASP6TSHRHCAR3
SCHEMBL9499862 0.84 POLB (0.59) VCAM1POLBCASP6TSHRHCAR3
SCHEMBL9183692 0.84 POLB (0.62) VCAM1POLBCASP6TSHRHCAR3
SCHEMBL20572634 0.84 POLB (0.62) VCAM1POLBCASP6TSHRHCAR3
SCHEMBL28909765 0.84 POLB (0.62) VCAM1POLBCASP6TSHRHCAR3
SCHEMBL6003204 0.84 POLB (0.62) VCAM1POLBCASP6TSHRHCAR3
SCHEMBL9658192 0.82 POLB (0.56) VCAM1POLBCASP6TSHRHCAR3
SCHEMBL6899620 0.81 MEN1 (0.69) VCAM1POLBCASP6TSHRHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119059914-A Method for preparing trifluoro benzoic acid derivative 帕潘纳(北京)科技有限公司 2024-12-03 CN disclosed
EP-3222606-B1 CARBOXYLIC ACID PREPARATION METHOD ZHEJIANG ZHUJI UNITED CHEMICALS CO LTD (CN) 2019-08-07 EP disclosed
US-10167246-B2 Preparative method for carboxylic acids ZHEJIANG ZHUJI UNITED CHEMICALS CO., LTD (CN) 2019-01-01 US disclosed
US-20170369412-A1 Preparative method for carboxylic acids ZHEJIANG ZHUJI UNITED CHEMICALS CO., LTD 2017-12-28 US disclosed
EP-3222606-A1 CARBOXYLIC ACID PREPARATION METHOD Zhejiang Zhuji United Chemicals Co., Ltd (CN) 2017-09-27 EP disclosed
CN-105646120-A Preparation method of carboxylic acid 浙江省诸暨合力化学对外贸易有限公司 2016-06-08 CN disclosed
US-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed
US-20090118332-A1 Therapeutic Agents - 551 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-20090105305-A1 Therapeutic Agents - 550 ASTRAZENECA AB (SE) 2009-04-23 US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
CN-1079224-A Antifungal compound ZENECA LTD (GB) 1993-12-08 CN disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 WO disclosed
US-4564623-A HISTAMINE H2-ANTAGONISTS, ANTIULCER AGENTS SHIONOGI & CO., LTD. (JP) 1986-01-14 US disclosed
US-4482566-A ANTIULCER AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JP) 1984-11-13 US disclosed
EP-0023578-B1 AMINOALKYLBENZENE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SHIONOGI & CO., LTD. (JP) 1984-05-30 EP disclosed
US-4309433-A TREATMENT OF PEPTIC ULCERS SHIONOGI & CO., LTD. (JP) 1982-01-05 US disclosed
EP-0023578-A1 Aminoalkylbenzene derivatives, process for their preparation and pharmaceutical compositions SHIONOGI & CO., LTD. (JP) 1981-02-11 EP disclosed
US-4247597-A Electroscopic carrier particles having a carboxylic acid surface treatment PITNEY BOWES, INC. (US) 1981-01-27 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 (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-20090105305-A1 Therapeutic Agents - 550 FABP4, GPR119, FASN VCAM1 1433/4885POLB 2341/4885CASP6 1602/4885
US-20170369412-A1 Preparative method for carboxylic acids CBR3, CBR1, QPCT VCAM1 4453/4885POLB 1538/4885CASP6 618/4885
US-10167246-B2 Preparative method for carboxylic acids CBR3, CBR1, QPCT VCAM1 4453/4885POLB 1538/4885CASP6 618/4885
US-20090118332-A1 Therapeutic Agents - 551 GPR119, FABP4, FASN VCAM1 1132/4885POLB 2291/4885CASP6 2171/4885

“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.