SCHEMBL6899153

SCHEMBL6899153

CCCc1c[nH]c(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.60
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
NOTUM Q6P988 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MCL1 Q07820 1/20 0.39
PKM P14618 2/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HCAR3 P49019 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN11 Q06124 1/20 0.36
CA12 O43570 1/20 0.35
ALPL P05186 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL5858576 0.87 DAO (0.55) DAOHCAR2HCAR3
SCHEMBL9148963 0.86 DAO (0.54) DAOHCAR2
SCHEMBL9050786 0.86 DAO (0.54) DAOHCAR2
SCHEMBL8390700 0.86 DAO (0.54) DAOHCAR2
SCHEMBL13614197 0.84 DAO (0.54) DAOTDP1RAB9AGAASMN1; SMN2
SCHEMBL30823677 0.83 DAO (0.42) DAORAB9AGAASMN1; SMN2PKM
SCHEMBL1225699 0.81 DAO (0.60) DAOTDP1RAB9AGAASMN1; SMN2
SCHEMBL13614337 0.80 DAO (0.47) DAOTDP1RAB9AGAASMN1; SMN2
SCHEMBL23952162 0.80 GAA (0.53) DAORAB9AGAAPKMNPC1
SCHEMBL9908199 0.80 BAZ2B (0.57) DAOGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216970-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-22 US disclosed
US-9216970-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-22 US disclosed
US-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-16 US disclosed
US-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-16 US disclosed
US-8664227-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE, INC. (US) 2014-03-04 US disclosed
US-8664227-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE, INC. (US) 2014-03-04 US disclosed
US-20130267539-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2013-10-10 US disclosed
US-20130267539-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2013-10-10 US disclosed
US-8481549-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE, INC. (US) 2013-07-09 US disclosed
US-8481549-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE, INC. (US) 2013-07-09 US disclosed
WO-2011090929-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-07-28 WO disclosed
US-20110178101-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-07-21 US disclosed
US-20110178101-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-07-21 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 (3 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-20110178101-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 DAO 2217/4885TDP1 2099/4885RAB9A 3761/4885
US-20130267539-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 DAO 2217/4885TDP1 2099/4885RAB9A 3761/4885
US-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 DAO 2217/4885TDP1 2099/4885RAB9A 3761/4885

“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.