SCHEMBL17682014

SCHEMBL17682014

CN1CCN(C(=O)CCNC(=O)c2ccc(Cl)s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
F10 P00742 8/20 0.53
F2 P00734 2/20 0.49
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL16201598 0.77 LMNA (0.55) MAPK1LMNAKMT2AF10F2
Hydrochloric Acid SCHEMBL1770731 0.76 LMNA (0.54) MAPK1LMNAKMT2AF10F2
SCHEMBL12124252 0.75 ALDH1A1 (0.53) LMNAKMT2AL3MBTL1
SCHEMBL5630030 0.75 MAPK1 (0.63) MAPK1LMNAKMT2AF10F2
SCHEMBL12124247 0.74 ALDH1A1 (0.52) LMNAKMT2AHPGDL3MBTL1
SCHEMBL13211868 0.74 KMT2A (0.57) LMNAKMT2ATSHR
SCHEMBL6362178 0.73 MAPK1 (0.69) MAPK1LMNAKMT2AF10F2
SCHEMBL12124454 0.72 ALDH1A1 (0.50) LMNAKMT2AF10HPGDTSHR
SCHEMBL3402914 0.72 MAPK1 (0.46) MAPK1LMNAKMT2AF10F2
SCHEMBL16556595 0.71 MAPK1 (0.66) MAPK1F10HPGDTSHR

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 2 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-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

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 MAPK1 2423/4885LMNA 4643/4885KMT2A 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.