Sugi Predict

Sugi Predict / Compounds / SCHEMBL3066933

SCHEMBL3066933

SCHEMBL3066933

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CC(=O)NC[C@H](S)Cc2ccccc2F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ RORC P51449 2/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ FABP4 P15090 1/20 0.33
▸ FABP5 Q01469 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TP53 P04637 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
SCHEMBL2977804 0.91 PTGES (0.36) CNR1KMT2AALDH1A1LMNACA1
SCHEMBL3066936 0.91 TSHR (0.37) CNR1KMT2AALDH1A1LMNATSHR
SCHEMBL3050703 0.89 TRPV1 (0.37) CNR1KMT2AALDH1A1CA1CA2
SCHEMBL2974140 0.88 LMNA (0.40) KMT2AALDH1A1LMNACA1CA2
SCHEMBL2969350 0.86 PLA2G1B (0.37) CNR1KMT2AALDH1A1RORCHTT
SCHEMBL3066934 0.85 ALOX5AP (0.33) CNR1RORC
SCHEMBL841746 0.84 AGTR1 (0.37) KMT2AALDH1A1TSHRRORC
SCHEMBL841745 0.84 AGTR1 (0.37) KMT2AALDH1A1TSHRRORC
SCHEMBL3067945 0.83 ALDH1A1 (0.37) CNR1KMT2AALDH1A1LMNACA1
SCHEMBL2967732 0.83 BDKRB1 (0.44) —

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 6 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-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 CNR1 281/4885KMT2A 3360/4885ALDH1A1 1623/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CNR1 281/4885KMT2A 3360/4885ALDH1A1 1623/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CNR1 281/4885KMT2A 3360/4885ALDH1A1 1623/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CNR1 281/4885KMT2A 3360/4885ALDH1A1 1623/4885

“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.