SCHEMBL3879629

SCHEMBL3879629

CCC(Oc1ccccc1C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
PPARA Q07869 9/20 0.53
PPARG P37231 9/20 0.50
TDP1 Q9NUW8 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL8935641 1.00 SMN1; SMN2 (0.57) SMN1; SMN2PPARAPPARGTDP1HTT
SCHEMBL8935703 0.87 SMN1; SMN2 (0.54) SMN1; SMN2PPARAPPARGTDP1
SCHEMBL8935705 0.87 SMN1; SMN2 (0.54) SMN1; SMN2PPARAPPARGTDP1
SCHEMBL29213724 0.85 TDP1 (0.54) SMN1; SMN2PPARATDP1HTTKDM4E
SCHEMBL4650644 0.83 KMT2A (0.62) SMN1; SMN2PPARAPPARGHTTALDH1A1
SCHEMBL8935639 0.83 KMT2A (0.62) SMN1; SMN2PPARAPPARGHTTALDH1A1
SCHEMBL6664136 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL17633012 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL8935961 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGTSHR
SCHEMBL5861928 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PPARAPPARGTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-03-13 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-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors CLARK MICHAEL PHILIP 2009-03-12 US disclosed
US-7482356-B2 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-7396850-B2 Pyrazole derivative as PPAR modulator ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070043220-A1 Pyrazole derivative as ppar modulator ELI LILLY AND COMPANY 2007-02-22 US disclosed
US-7091237-B2 Furan and thiophene derivatives that activate human peroxisome proliferator activated receptors SMITHKLINE BEECHAM CORPORATION (US) 2006-08-15 US disclosed
EP-1682551-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2006-07-26 EP disclosed
EP-1583746-A1 A PYRAZOLE DERIVATIVE AS PPAR MODULATOR ELI LILLY AND COMPANY (US) 2005-10-12 EP disclosed
WO-2005047287-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 WO disclosed
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 US disclosed
US-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors GLAXO GROUP LIMITED (GB) 2004-08-12 US disclosed
WO-2004063165-A1 A PYRAZOLE DERIVATIVE AS PPAR MODULATOR ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
CN-1098099-A The hexahydro naphthalene ester derivative, their preparation and their treatment are used SANKYO CO (JP) 1995-02-01 CN 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 (8 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-20040157890-A1 Furan and thiophene derivatives that activate human peroxisome profilerator activated receptors PPARG, PPARD, PPARA SMN1; SMN2 3688/4885PPARA 3/4885PPARG 1/4885
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs PSMB3, PSME3, PSMD3 SMN1; SMN2 3198/4885PPARA 1881/4885PPARG 2888/4885
US-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD SMN1; SMN2 4476/4885PPARA 2/4885PPARG 1/4885
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 SMN1; SMN2 3198/4885PPARA 1881/4885PPARG 2888/4885
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 SMN1; SMN2 3198/4885PPARA 1881/4885PPARG 2888/4885
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors IL1B, IL1A, IL1RN SMN1; SMN2 4630/4885PPARA 2729/4885PPARG 2922/4885
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors IL1B, IL1A, IL1RN SMN1; SMN2 4630/4885PPARA 2729/4885PPARG 2922/4885
US-20070043220-A1 Pyrazole derivative as ppar modulator PPARD, PPARG, PPARA SMN1; SMN2 4737/4885PPARA 3/4885PPARG 2/4885

“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.