SCHEMBL3012172

SCHEMBL3012172

COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)n2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 2/20 0.43
ATM Q13315 1/20 0.43
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 3/20 0.41
MAPT P10636 4/20 0.40
USP2 O75604 2/20 0.40
RECQL P46063 2/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 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
SCHEMBL3776753 0.96 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL3011267 0.94 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL3011026 0.90 RAB9A (0.47) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL3016535 0.90 LMNA (0.44) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL3008296 0.89 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL3018135 0.87 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL3007930 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AL3MBTL1HSD17B10MAPT
SCHEMBL3019810 0.86 HSD17B10 (0.46) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL3019255 0.86 L3MBTL1 (0.49) ALDH1A1KMT2AL3MBTL1TSHRHSD17B10
SCHEMBL3644344 0.86 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA ALDH1A1 3510/4885KMT2A 2680/4885MEN1 454/4885

“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.