SCHEMBL565902

SCHEMBL565902

COCc1cccc(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 16/20 0.67
TP53 P04637 2/20 0.67
PKM P14618 2/20 0.67
NFKB1 P19838 2/20 0.67
NFKB2 Q00653 2/20 0.67
RELA Q04206 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
RAB9A P51151 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
FOLH1 Q04609 1/20 0.59

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
SCHEMBL30628893 1.00 MRGPRX4 (0.67) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL20795336 0.87 MRGPRX4 (0.51) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL27905651 0.86 MRGPRX4 (0.54) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL22681476 0.86 ATM (0.57) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL3149977 0.85 MAOB (0.57) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL28277763 0.85 MRGPRX4 (0.58) MRGPRX4TP53PKMNFKB1NFKB2
Benzoic Acid SCHEMBL29002939 0.85 NR4A2 (0.59) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL6000790 0.85 MRGPRX4 (0.68) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL45113 0.84 MRGPRX4 (0.57) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL2824632 0.84 PARP1 (0.56) MRGPRX4TP53PKMNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118006054-B Weather-resistant and anti-fouling plastic wallboard and preparation method thereof 浙江奕科新材料股份有限公司 2024-07-23 CN claimed
CN-118006054-A Weather-resistant and anti-fouling plastic wallboard and preparation method thereof 浙江奕科新材料股份有限公司 2024-05-10 CN claimed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
EP-1399431-B1 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-02-18 EP claimed
US-6982263-B2 Nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 US claimed
US-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-26 US claimed
WO-2002100849-A2 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-19 WO claimed
CN-118006054-B Weather-resistant and anti-fouling plastic wallboard and preparation method thereof 浙江奕科新材料股份有限公司 2024-07-23 CN disclosed
CN-118006054-A Weather-resistant and anti-fouling plastic wallboard and preparation method thereof 浙江奕科新材料股份有限公司 2024-05-10 CN disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN disclosed
CN-110183371-B Preparation process of zafirlukast intermediate 南京医科大学 2022-06-14 CN disclosed
CN-110183371-B Preparation process of zafirlukast intermediate 南京医科大学 2022-06-14 CN disclosed
WO-2002100849-A2 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-0107693-B1 2,3,4-TRINOR-1,5-INTER-M-PHENYLENE-PROSTACYCLIN-I2 ANALOGUES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-07-27 EP disclosed
US-4638002-A ANTIAGGLOMERANTS, HYPOTENSIVE, ANTISECRETORY, ANTISPASMODIC, ANTIULCER, BRONCHODILATOR, ANTIHISTAMINES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1987-01-20 US disclosed
EP-0107693-A4 2,3,4-TRINOR-1,5-INTER-M-PHENYLENE-PROSTACYCLIN-I2 ANALOGUES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1984-09-17 EP disclosed
EP-0107693-A1 2,3,4-TRINOR-1,5-INTER-M-PHENYLENE-PROSTACYCLIN-I2 ANALOGUES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1984-05-09 EP disclosed
WO-1983004021-A1 2,3,4-TRINOR-1,5-INTER-M-PHENYLENE-PROSTACYCLINE-I2 ANALOGUES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1983-11-24 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 (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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS MRGPRX4 66/4885TP53 503/4885PKM 2004/4885
US-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases NOS1, CTSK, CTSS MRGPRX4 821/4885TP53 2785/4885PKM 3841/4885

“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.