SCHEMBL3884522

SCHEMBL3884522

CCCCOc1cc(C(=O)O)ccc1OC

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.68
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
CA7 P43166 1/20 0.67
TPMT P51580 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
TSHR P16473 2/20 0.65
PLA2G4B P0C869 1/20 0.64
PDE4B Q07343 3/20 0.60
PDE4A P27815 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
TP53 P04637 1/20 0.58

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
SCHEMBL4496535 0.97 SMPD1 (0.72) SMPD1CA12CA1CA2CA4
SCHEMBL28051119 0.95 SMPD1 (0.75) SMPD1CA12CA1CA2CA4
SCHEMBL9305512 0.95 SMPD1 (0.75) SMPD1CA12CA1CA2CA4
SCHEMBL28604170 0.95 SMPD1 (0.75) SMPD1CA12CA1CA2CA4
SCHEMBL1750327 0.94 TSHR (0.74) SMPD1CA12CA1CA2CA4
SCHEMBL7355274 0.93 SMPD1 (0.61) SMPD1CA12CA1CA2CA4
SCHEMBL7334285 0.92 CA12 (0.69) SMPD1CA12CA1CA2CA4
SCHEMBL4023882 0.92 POLB (0.64) SMPD1TSHRPLA2G4BALDH1A1HPGD
SCHEMBL2329752 0.91 TSHR (0.74) SMPD1CA12CA1CA2CA4
SCHEMBL9307551 0.89 PLA2G4B (0.74) SMPD1CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085429-B Aromatic heterocyclic derivative and application thereof in medicines 广东东阳光药业有限公司 2019-12-10 CN disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
EP-2890686-B1 METHOD FOR PRODUCING OXAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-01-04 EP disclosed
CN-103172543-B A kind of carbamide compounds, preparation method and its usage SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-02-10 CN disclosed
CN-105085429-A Heteroaromatic derivative and application thereof to medicament GUANGDONG HEC PHARMACEUTICAL 2015-11-25 CN disclosed
US-9181205-B2 Method for producing oxazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
WO-2015161830-A1 HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-29 WO disclosed
US-20150239855-A1 Method for Producing Oxazole Compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-08-27 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
US-5679696-A FOR INHIBITING TUMOR NECROSIS FACTOR; ENZYME INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1997-10-21 US disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
EP-0497564-B1 Benzamides RHONE POULENC RORER LTD (GB) 1995-12-27 EP disclosed
EP-0669311-A1 Benzamides RHONE POULENC RORER LIMITED (GB) 1995-08-30 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 WO disclosed
EP-0569414-A1 BENZAMIDES RHONE-POULENC RORER LIMITED (GB) 1993-11-18 EP disclosed
WO-1992012961-A1 BENZAMIDES RHONE POULENC RORER LIMITED (GB) 1992-08-06 WO disclosed
EP-0497564-A1 Benzamides RHONE POULENC RORER LIMITED (GB) 1992-08-05 EP 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 SMPD1 600/4885CA12 4808/4885CA1 3936/4885
US-20150239855-A1 Method for Producing Oxazole Compound OXA1L, CYB5R3, CBR3 SMPD1 4643/4885CA12 596/4885CA1 949/4885

“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.