SCHEMBL4469552

SCHEMBL4469552

CCOC(=O)C(N=C(c1ccccc1)c1ccccc1)c1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.45
NPC1 O15118 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 3/20 0.41
TBXA2R P21731 2/20 0.41
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL31195465 0.88 TBXAS1 (0.40) TBXAS1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL26670573 0.82 MEN1 (0.43) TBXAS1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL22558366 0.82 MEN1 (0.43) TBXAS1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29473304 0.82 MEN1 (0.43) TBXAS1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL19694359 0.79 TBXAS1 (0.43) TBXAS1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL17018473 0.79 KMT2A (0.43) TBXAS1NPC1MEN1KMT2ATBXA2R
SCHEMBL27711856 0.77 TBXAS1 (0.41) TBXAS1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL31422614 0.77 ALDH1A1 (0.41) TBXAS1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL26693982 0.77 MEN1 (0.42) TBXAS1NPC1MEN1KMT2ASMN1; SMN2
SCHEMBL30092747 0.76 AAK1 (0.40) NPC1MEN1KMT2ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591341-B2 Bicyclic and tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-02-28 US disclosed
US-11591341-B2 Bicyclic and tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-02-28 US disclosed
EP-3956331-A1 BICYCLIC AND TRICYCLIC COMPOUNDS Aligos Therapeutics, Inc. (US) 2022-02-23 EP disclosed
US-20200361947-A1 BICYCLIC AND TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-11-19 US disclosed
US-20200361947-A1 BICYCLIC AND TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-11-19 US disclosed
WO-2020214728-A1 BICYCLIC AND TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2020-10-22 WO disclosed
US-9839641-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS LIMITED (GB) 2017-12-12 US disclosed
US-9839641-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS LIMITED (GB) 2017-12-12 US disclosed
US-9839641-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS LIMITED (GB) 2017-12-12 US disclosed
US-20170128458-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC. 2017-05-11 US disclosed
US-20070219218-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-09-20 US disclosed
WO-2007084415-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 US disclosed
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases COURNOYER RICHARD L 2006-02-16 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 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 (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-20070219218-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 TBXAS1 746/4885NPC1 561/4885MEN1 1617/4885
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases AGTR1, AGTR2, PTGIR TBXAS1 150/4885NPC1 3982/4885MEN1 4055/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 TBXAS1 416/4885NPC1 1848/4885MEN1 2412/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 TBXAS1 404/4885NPC1 1903/4885MEN1 2555/4885
US-20200361947-A1 BICYCLIC AND TRICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 TBXAS1 371/4885NPC1 15/4885MEN1 376/4885
US-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC TBXAS1 1458/4885NPC1 2769/4885MEN1 2017/4885
US-20170128458-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS NISCH, ELANE, ALPI TBXAS1 1275/4885NPC1 356/4885MEN1 1427/4885
US-11591341-B2 Bicyclic and tricyclic compounds SLC10A1, PKD1, CYP11B2 TBXAS1 371/4885NPC1 15/4885MEN1 376/4885

“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.