SCHEMBL16201598

SCHEMBL16201598

CN1CCN(C(=O)[C@@H](N)CNC(=O)c2ccc(Cl)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
MAPK1 P28482 2/20 0.55
KMT2A Q03164 1/20 0.55
F10 P00742 14/20 0.51
F2 P00734 8/20 0.51
F9 P00740 2/20 0.50
PLG P00747 2/20 0.50
PLAT P00750 2/20 0.50
KLKB1 P03952 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.45

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
Hydrochloric Acid SCHEMBL1770731 0.99 LMNA (0.54) LMNAMAPK1KMT2AF10F2
SCHEMBL1770309 0.88 HPGD (0.51) LMNAMAPK1KMT2AF10F2
SCHEMBL20560085 0.78 F10 (0.53) LMNAMAPK1KMT2AF10F2
SCHEMBL1770395 0.78 F10 (0.53) LMNAMAPK1KMT2AF10F2
SCHEMBL1770887 0.77 MAPK1 (0.52) LMNAMAPK1KMT2AF10F2
SCHEMBL1770888 0.77 MAPK1 (0.52) LMNAMAPK1KMT2AF10F2
SCHEMBL17682014 0.77 MAPK1 (0.59) LMNAMAPK1KMT2AF10F2
Hydrochloric Acid SCHEMBL29197847 0.76 MAPK1 (0.51) LMNAMAPK1KMT2AF10F2
SCHEMBL1770563 0.76 F10 (0.55) LMNAF10F2TSHR
SCHEMBL8280724 0.72 MAPK1 (0.59) LMNAMAPK1KMT2AF10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637479-B2 Tartrate salt of 5-chloro-thiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxo-pyrrolidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]amide SANOFI (FR) 2017-05-02 US disclosed
US-9637479-B2 Tartrate salt of 5-chloro-thiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxo-pyrrolidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]amide SANOFI (FR) 2017-05-02 US disclosed
US-20160102082-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL-PIPERAZIN-1-YL)-3-OXO-PROPYL]AMIDE BEIJING COLLAB PHARM CO., LTD. (CN) 2016-04-14 US disclosed
US-20160102082-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL-PIPERAZIN-1-YL)-3-OXO-PROPYL]AMIDE BEIJING COLLAB PHARM CO., LTD. (CN) 2016-04-14 US disclosed
WO-2014174102-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL PIPERAZIN-1 -YL)-3-OXO-PROPRYL]AMIDE SANOFI (FR) 2014-10-30 WO 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-20160102082-A1 TARTRATE SALT OF 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [(S)-2-[METHYL-3-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONYLAMINO]-3-(4-METHYL-PIPERAZIN-1-YL)-3-OXO-PROPYL]AMIDE CPS1, ACP3, ACP1 LMNA 4643/4885MAPK1 2423/4885KMT2A 2012/4885

“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.