Sugi Predict

Sugi Predict / Compounds / SCHEMBL4356883

SCHEMBL4356883

SCHEMBL4356883

CCCc1nc(CC)c(C(=O)OCC)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.43
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1444895 0.89 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL9310219 0.89 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL8566438 0.87 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL7398766 0.86 HPGD (0.37) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL9308574 0.85 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL9137641 0.84 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL1963777 0.84 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL5809049 0.84 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL1275935 0.83 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL8046651 0.82 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHTTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 — — US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 — — EP disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 — — US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 — — US disclosed
EP-1988091-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2015-06-10 — — EP disclosed
US-8242151-B2 Tricyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-14 — — US disclosed
CN-101646666-A Tricyclic compounds KYOWA HAKKO KOGYO KK JP 2010-02-10 — — CN disclosed
US-20090176760-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-09 — — US disclosed
EP-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 — — EP disclosed
EP-1094816-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-12-10 — — EP disclosed
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2004-06-03 — — US disclosed
US-6638937-B2 As antihypertensive agents; for therapy of disorders related to renal, glomerular and mesangial cell function; therapy of endotoxemia or endotoxin shock as well as hemorrhagic shock; useful in alleviation of pain associated cancer BRISTOL-MYERS SQUIBB CO. 2003-10-28 — — US disclosed
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2002-10-03 — — US disclosed
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 — — EP disclosed
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 — — EP disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 — — WO disclosed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 — — EP disclosed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 — — WO disclosed
US-5789415-A Azacyclic-heterocyclic compounds as angiotension II receptor antagonists PFIZER INC. (US) 1998-08-04 — — US disclosed
WO-1995002596-A1 AZACYCLIC-HETEROCYCLIC COMPOUNDS AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-01-26 — — 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 (6 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-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 ALDH1A1 919/4885HPGD 1032/4885KDM4E 3718/4885
US-20020143024-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885HPGD 2415/4885KDM4E 1602/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA ALDH1A1 1854/4885HPGD 2415/4885KDM4E 1602/4885
US-20090176760-A1 TRICYCLIC COMPOUNDS PPARG, PPARD, PPARA ALDH1A1 1421/4885HPGD 1680/4885KDM4E 2273/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 ALDH1A1 919/4885HPGD 1032/4885KDM4E 3718/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 ALDH1A1 919/4885HPGD 1032/4885KDM4E 3718/4885

“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.