SCHEMBL6900293

SCHEMBL6900293

CCCc1cc(C(=O)O)cn1CC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.36
RXRA P19793 1/20 0.35
RARB P10826 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
KDM5A P29375 3/20 0.34
KDM5B Q9UGL1 3/20 0.34
KDM4C Q9H3R0 2/20 0.33
DAO P14920 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
PLA2G2A P14555 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9150335 0.76 RARB (0.44) RARBPLA2G2AMEN1KMT2A
SCHEMBL3164617 0.71 POLB (0.39) L3MBTL1POLBMEN1KMT2A
SCHEMBL3164712 0.70 POLB (0.38) POLB
SCHEMBL3165877 0.70 P2RX7 (0.44) POLBMEN1KMT2A
SCHEMBL25351790 0.69 CNR2 (0.50) L3MBTL1MEN1KMT2A
SCHEMBL9019256 0.69 RARB (0.45) RARBHCAR2KDM5AKDM5BPLA2G2A
SCHEMBL26085595 0.68 HDAC3 (0.41) L3MBTL1POLBRXRAKDM5AKDM5B
SCHEMBL16100884 0.68 RAF1 (0.41)
SCHEMBL1257017 0.67 BRD4 (0.46) POLBKMT2A
SCHEMBL19102017 0.66 HCAR3 (0.32) POLBMEN1KMT2A

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 8 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-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-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-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-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 L3MBTL1 4668/4885POLB 4101/4885RXRA 4571/4885
US-20140135333-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 L3MBTL1 4668/4885POLB 4101/4885RXRA 4571/4885
US-20130267539-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 L3MBTL1 4668/4885POLB 4101/4885RXRA 4571/4885
US-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 L3MBTL1 4668/4885POLB 4101/4885RXRA 4571/4885

“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.