SCHEMBL16639428

SCHEMBL16639428

Cc1ccc(-c2ccccc2)cc1S(=O)(=O)/N=C/N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAOB P27338 1/20 0.40
HTR6 P50406 1/20 0.38
BCAT1 P54687 1/20 0.37
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CECR2 Q9BXF3 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL8264035 0.79 LMNA (0.67) LMNAGAABCAT1KMT2APOLB
SCHEMBL7107948 0.74 MAOB (0.50) LMNAGAAMAOBHTR6BRD4
SCHEMBL7613335 0.74 LMNA (0.65) LMNAGAAMAOBBCAT1KMT2A
SCHEMBL7613330 0.74 LMNA (0.65) LMNAGAAMAOBBCAT1KMT2A
SCHEMBL489379 0.72 LMNA (0.58) LMNAGAABCAT1KMT2APOLB
SCHEMBL4843096 0.72 MAOB (0.48) LMNAMAOBHTR6BRD4KMT2A
SCHEMBL4110091 0.71 LMNA (0.70) LMNAGAABCAT1KMT2AMEN1
SCHEMBL4972178 0.71 LMNA (0.70) LMNAGAABCAT1KMT2AMEN1
SCHEMBL17013385 0.71 GAA (0.60) LMNAGAAKMT2APOLBCYP3A4
SCHEMBL10530946 0.69 LMNA (0.49) LMNAGAABCAT1KMT2APOLB

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 LMNA 3480/4885GAA 2685/4885MAOB 406/4885

“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.