SCHEMBL841540

SCHEMBL841540

CCCC(CCNC(=O)C(CS)C(C)C)C(=O)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
NR1H4 Q96RI1 4/20 0.43
EPHX2 P34913 3/20 0.43
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMO Q99835 3/20 0.39
MME P08473 1/20 0.38
AGTR1 P30556 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
PPARG P37231 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
SCHEMBL839764 0.89 CA1 (0.49) CA1CA2NR1H4EPHX2KMT2A
SCHEMBL840548 0.87 CA1 (0.47) CA1CA2NR1H4EPHX2KMT2A
SCHEMBL6116952 0.84 CA1 (0.45) CA1CA2NR1H4EPHX2KMT2A
SCHEMBL839434 0.84 MME (0.54) CA1CA2EPHX2KMT2AMAPT
SCHEMBL840454 0.82 PPARG (0.48) CA1CA2NR1H4EPHX2HDAC1
SCHEMBL841258 0.79 MMP8 (0.54) CA1CA2
SCHEMBL841451 0.76 MMP8 (0.61) HDAC1HDAC3HDAC2
SCHEMBL841539 0.73 HDAC1 (0.51) HDAC1HDAC3HDAC2
SCHEMBL13609098 0.73 KMT2A (0.62) CA1CA2NR1H4EPHX2KMT2A
SCHEMBL840791 0.72 MME (0.58) MMEAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC. (US) 2015-01-08 US disclosed
US-8735625-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2014-05-27 US disclosed
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-02-13 US disclosed
US-8394846-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-03-12 US disclosed
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-05-24 US disclosed
US-8143298-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-03-27 US disclosed
US-20100267788-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2010-10-21 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-20100267788-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CA1 4380/4885CA2 649/4885NR1H4 1459/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CA1 4380/4885CA2 649/4885NR1H4 1459/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CA1 4380/4885CA2 649/4885NR1H4 1459/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CA1 4380/4885CA2 649/4885NR1H4 1459/4885

“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.