SCHEMBL6899566

SCHEMBL6899566

CCCc1cc(C(=O)OC)oc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
MAPT P10636 4/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 3/20 0.40
HTT P42858 1/20 0.40
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
HPGD P15428 2/20 0.39
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HSD17B10 Q99714 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL1198786 0.75 MAPT (0.50) ATMMAPTTSHRHTTHSD17B10
SCHEMBL17130042 0.74 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17130050 0.73 MAPT (0.47) MAPTSMN1; SMN2TSHRHTTHPGD
SCHEMBL1529442 0.70 ATM (0.51) ATMMAPTNPC1RAB9ATSHR
SCHEMBL2448365 0.70 MAPT (0.45) MAPTNPC1RAB9ATSHRHTT
Hydrochloric Acid SCHEMBL6987462 0.70 ATM (0.40) ATMMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11974036 0.68 HTT (0.71) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL6899235 0.68 NPC1 (0.44) ATMMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3534389 0.68 TSHR (0.56) ATMMAPTSMN1; SMN2TSHRHTT
SCHEMBL25191584 0.68 GABRA1 (0.39) ATMMAPTSMN1; SMN2TSHRCCR6

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 17 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-8946233-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-03 US disclosed
US-8946233-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-03 US disclosed
US-20140135333-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-05-15 US disclosed
US-20140135333-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-05-15 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 (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-20110178101-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 ATM 4568/4885MAPT 1521/4885NPC1 2475/4885
US-20140135333-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 ATM 4568/4885MAPT 1521/4885NPC1 2475/4885
US-20130267539-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 ATM 4568/4885MAPT 1521/4885NPC1 2475/4885
US-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 ATM 4568/4885MAPT 1521/4885NPC1 2475/4885

“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.