SCHEMBL177201

SCHEMBL177201

CCCOc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.65
PRSS1 P07477 4/20 0.60
THRA P10827 1/20 0.60
THRB P10828 1/20 0.60
HCAR3 P49019 8/20 0.56
CASP6 P55212 1/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 1/20 0.53
PLA2G2A P14555 1/20 0.52

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
SCHEMBL27403163 0.93 PLA2G4B (0.74) PLA2G4BPRSS1THRATHRBHCAR3
SCHEMBL1749792 0.93 PLA2G4B (0.74) PLA2G4BPRSS1THRATHRBHCAR3
SCHEMBL12431954 0.92 PLA2G4B (0.77) PLA2G4BPRSS1THRATHRBHCAR3
SCHEMBL7696499 0.92 PLA2G4B (0.77) PLA2G4BPRSS1THRATHRBHCAR3
SCHEMBL9626808 0.92 PLA2G4B (0.77) PLA2G4BPRSS1THRATHRBHCAR3
Hydrochloric Acid SCHEMBL9627735 0.91 PLA2G4B (0.75) PLA2G4BPRSS1THRATHRBHCAR3
SCHEMBL5348288 0.89 XDH (0.55) PLA2G4BPRSS1THRATHRBMAPT
SCHEMBL9258258 0.89 POLB (0.60) PLA2G4BPRSS1THRATHRBMAPT
SCHEMBL3574447 0.89 AKR1C3 (0.58) PLA2G4BPRSS1HCAR3CASP6TSHR
SCHEMBL1402203 0.88 MAPT (0.65) PLA2G4BPRSS1HCAR3CASP6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178190-A Preparation method of procaine hydrochloride 广东先强药业有限公司 2023-05-30 CN claimed
CN-116178190-A Preparation method of procaine hydrochloride 广东先强药业有限公司 2023-05-30 CN disclosed
CN-110183348-B N- (3-nitro-4-alkoxy benzoyl) amino acid compound, preparation method and application thereof 中国医科大学 2022-06-03 CN disclosed
CN-110183348-A N- (3- nitro -4- alkoxybenzoyl) amino acids, preparation method and its usage 中国医科大学 2019-08-30 CN disclosed
CN-108017543-A A kind of preparation method of 3- nitros -4- propoxy benzoic acids 山东诚汇双达药业有限公司 2018-05-11 CN disclosed
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
US-20070043235-A1 Process for preparing 3-nitro-4-alkoxybenzoic acid KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2007-02-22 US disclosed
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 US disclosed
CN-1738798-A Indole derivatives as somatostatin agonists or antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-22 CN disclosed
EP-1621528-A1 PROCESS FOR PRODUCING 3-NITRO-4-ALKOXYBENZOIC ACID KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 2006-02-01 EP disclosed
EP-1562898-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
WO-2004046107-A1 INDOLE DERIVATIVES AS SOMATOSTATIN AGONISTS OR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 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 (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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 PLA2G4B 103/4885PRSS1 1248/4885THRA 1275/4885
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R PLA2G4B 3412/4885PRSS1 653/4885THRA 89/4885
US-20070043235-A1 Process for preparing 3-nitro-4-alkoxybenzoic acid NOS3, NOS1, NOS2 PLA2G4B 2155/4885PRSS1 3522/4885THRA 2508/4885

“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.