Sugi Predict

Sugi Predict / Compounds / SCHEMBL1200736

SCHEMBL1200736

SCHEMBL1200736

CCOC(=O)N[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ CTSS P25774 2/20 0.50
▸ CTSL P07711 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ LTA4H P09960 1/20 0.48
▸ ANPEP P15144 1/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MDM4 O15151 1/20 0.47
▸ MDM2 Q00987 1/20 0.47
▸ NAALAD2 Q9Y3Q0 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL1200775 1.00 ATM (0.62) ATMSMN1; SMN2CTSSCTSLGAA
SCHEMBL1200738 1.00 ATM (0.62) ATMSMN1; SMN2CTSSCTSLGAA
SCHEMBL24661545 0.90 SMN1; SMN2 (0.62) ATMSMN1; SMN2CTSSCTSLGAA
SCHEMBL15670028 0.89 SMN1; SMN2 (0.54) ATMSMN1; SMN2CTSSCTSLGAA
SCHEMBL15670029 0.89 SMN1; SMN2 (0.54) ATMSMN1; SMN2CTSSCTSLGAA
SCHEMBL8658251 0.86 ATM (0.48) ATMSMN1; SMN2CTSSCTSLGAA
SCHEMBL9513414 0.84 ATM (0.53) ATMSMN1; SMN2CTSSCTSLGAA
SCHEMBL11491274 0.84 ATM (0.60) ATMSMN1; SMN2CTSSCTSLLMNA
SCHEMBL1461981 0.84 ATM (0.60) ATMSMN1; SMN2CTSSCTSLLMNA
SCHEMBL9511334 0.84 ATM (0.53) ATMSMN1; SMN2CTSSCTSLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513113-B1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS LLC (US) 2018-08-01 — — EP disclosed
US-9187496-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS LLC (US) 2015-11-17 — — US disclosed
US-9187496-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS LLC (US) 2015-11-17 — — US disclosed
US-9187496-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS LLC (US) 2015-11-17 — — US disclosed
US-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-03-21 — — US disclosed
US-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-03-21 — — US disclosed
US-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-03-21 — — US disclosed
US-8362068-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-01-29 — — US disclosed
US-8362068-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-01-29 — — US disclosed
US-8362068-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-01-29 — — US disclosed
US-20050043357-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2005-02-24 — — US disclosed
US-20050038074-A1 Mitotic kinesin inhibitors COLEMAN PAUL J (US) 2005-02-17 — — US disclosed
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 — — EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 — — US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 — — US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 — — US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 — — US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 — — US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 — — EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 — — 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 (4 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-20130071352-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 ATM 4482/4885SMN1; SMN2 4507/4885CTSS 1244/4885
US-20050043357-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B ATM 1062/4885SMN1; SMN2 1987/4885CTSS 1923/4885
US-20050038074-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B ATM 1062/4885SMN1; SMN2 1987/4885CTSS 1923/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 ATM 4301/4885SMN1; SMN2 2799/4885CTSS 2510/4885

“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.