SCHEMBL10081972

SCHEMBL10081972

Cc1ccc(C[C@H](C)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.53
▸ PPARG P37231 2/20 0.49
▸ PPARA Q07869 2/20 0.49
▸ PTGS1 P23219 3/20 0.48
▸ PTGS2 P35354 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ AKR1C3 P42330 2/20 0.48
▸ CXCR1 P25024 2/20 0.48
▸ CXCR2 P25025 2/20 0.48
▸ ALB P02768 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ RARB P10826 1/20 0.48
▸ ADRB3 P13945 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ NR1I3 Q14994 1/20 0.48
▸ SLC22A6 Q4U2R8 1/20 0.48
▸ CXCL8 P10145 1/20 0.48

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
SCHEMBL1716550 1.00 TBXAS1 (0.53) TBXAS1PPARGPPARAPTGS1PTGS2
SCHEMBL12696346 1.00 TBXAS1 (0.53) TBXAS1PPARGPPARAPTGS1PTGS2
SCHEMBL11237591 0.91 TBXAS1 (0.59) TBXAS1PTGS1PTGS2LMNACYP2C9
SCHEMBL19553694 0.85 PTGS1 (0.66) TBXAS1PTGS1PTGS2LMNACYP2C9
SCHEMBL11615201 0.85 ACACB (0.47) PPARGPPARAPTGS1PTGS2LMNA
SCHEMBL15147780 0.85 MME (0.46) TBXAS1PPARGPPARAPTGS1PTGS2
SCHEMBL22184250 0.85 MME (0.46) TBXAS1PPARGPPARAPTGS1PTGS2
SCHEMBL1410416 0.83 TBXAS1 (0.53) TBXAS1PPARGPPARAPTGS1PTGS2
SCHEMBL11996333 0.83 TBXAS1 (0.53) TBXAS1PPARGPPARAPTGS1PTGS2
SCHEMBL18698817 0.83 ACACB (0.50) PPARGPPARAPTGS1PTGS2LMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination THE GENERAL HOSPITAL CORPORATION 2016-12-15 — — US disclosed
US-9434699-B2 Iodine(III)-mediated radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2016-09-06 — — US disclosed
US-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2015-09-10 — — US disclosed
WO-2014085575-A1 METHODS FOR TREATING CANCER USING COMBINATION THERAPIES ENDOCYTE, INC. (US) 2014-06-05 — — WO disclosed
US-8466291-B2 1,5-dideoxy-1,5-imino-D-glucitol compounds ACADEMIA SINICA (TW) 2013-06-18 — — US disclosed
WO-2012129564-A2 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-09-27 — — WO disclosed
US-8110596-B2 Triprenyl phenol compound, process for production of triprenyl phenol compound, and thrombolysis enhancer TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY TLO CO., LTD. (JP) 2012-02-07 — — US disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 — — US disclosed
WO-2010045598-A2 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2010-04-22 — — WO disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
US-20090216028-A1 Triprenyl phenol compound, process for production of triprenyl phenol compound, and thrombolysis enhancer TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY TLO CO., LTD. (JP) 2009-08-27 — — US disclosed
WO-2009026177-A1 PSMA BINDING LIGAND-LINKER CONJUGATES AND METHODS FOR USING PURDUE RESEARCH FOUNDATION (US) 2009-02-26 — — WO disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 — — WO disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — 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 (5 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-20150252007-A1 IODINE(III)-MEDIATED RADIOFLUORINATION TPO, FLI1, SSTR3 TBXAS1 3294/4885PPARG 776/4885PPARA 1844/4885
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 TBXAS1 356/4885PPARG 232/4885PPARA 896/4885
US-20160362375-A1 Iodine(III)-Mediated Radiofluorination TPO, FLI1, SSTR3 TBXAS1 3294/4885PPARG 776/4885PPARA 1844/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 TBXAS1 2241/4885PPARG 4598/4885PPARA 4050/4885
US-20090216028-A1 Triprenyl phenol compound, process for production of triprenyl phenol compound, and thrombolysis enhancer PLAT, F2R, F12 TBXAS1 15/4885PPARG 884/4885PPARA 1390/4885

“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.

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