SCHEMBL1929079

SCHEMBL1929079

COC(=O)Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.57
HPGD P15428 2/20 0.55
NPC1 O15118 1/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CFD P00746 1/20 0.51
AOC3 Q16853 3/20 0.50
SYK P43405 1/20 0.50
ENPP2 Q13822 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
BCL2 P10415 1/20 0.49
HSP90AB1 P08238 1/20 0.49

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
SCHEMBL3357160 0.98 SLC7A5 (0.56) SLC7A5HPGDNPC1PKMNFKB1
SCHEMBL13433607 0.89 HSP90AB1 (0.53) SLC7A5HPGDNPC1PKMNFKB1
SCHEMBL3361035 0.89 SLC7A5 (0.54) SLC7A5HPGDNPC1PKMNFKB1
SCHEMBL3357146 0.88 GAA (0.55) SLC7A5HPGDNPC1PKMNFKB1
SCHEMBL7031797 0.88 SLC7A5 (0.52) SLC7A5HPGDNPC1PKMNFKB1
SCHEMBL13460869 0.87 SLC7A5 (0.49) SLC7A5HPGDNPC1PKMNFKB1
SCHEMBL3930520 0.87 PRKCI (0.57) SLC7A5HPGDNPC1PKMNFKB1
SCHEMBL13791195 0.87 HSP90AB1 (0.54) SLC7A5HPGDNPC1PKMNFKB1
SCHEMBL13461093 0.86 CYP4F2 (0.52) SLC7A5HPGDNPC1PKMNFKB1
SCHEMBL13433625 0.86 SLC7A5 (0.51) SLC7A5HPGDNPC1PKMNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763509-B1 ALPHA-HELICAL MIMETICS WALTER & ELIZA HALL INST MEDICAL RES (AU) 2018-02-21 EP disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 US disclosed
US-20110014569-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2011-01-20 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
US-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LTD. (GB) 2009-10-01 US disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-7425562-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD. (GB) 2008-09-16 US disclosed
US-5998470-A Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 US disclosed
WO-1999059570-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 WO disclosed
EP-0934291-A4 SMITHKLINE BEECHAM CORP (US) 1999-08-11 EP disclosed
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO disclosed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 WO disclosed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 EP disclosed
US-4883795-A Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1989-11-28 US disclosed
US-4831031-A Aryl piperazinyl-(C2 or C4) alkylene heterocyclic compounds having neuroleptic activity PFIZER INC. (US) 1989-05-16 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 (1 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-20090247471-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES CPN1, CTRL, CPA1 SLC7A5 3695/4885HPGD 2322/4885NPC1 2743/4885

“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.