SCHEMBL3013018

SCHEMBL3013018

COc1ccc(Cc2csc(N3CCN(S(=O)(=O)c4cc(Cl)cc(Cl)c4)CC3)n2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.42

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
SCHEMBL3007865 0.93 GAA (0.49) TSHRPOLBHTTKDM4ESMN1; SMN2
SCHEMBL3015084 0.92 TSHR (0.48) TSHRPOLBHTTKDM4ESMN1; SMN2
SCHEMBL3002337 0.91 TSHR (0.50) TSHRPOLBHTTKDM4ESMN1; SMN2
SCHEMBL3013884 0.91 TSHR (0.53) TSHRPOLBHTTKDM4ESMN1; SMN2
SCHEMBL3016611 0.90 TSHR (0.47) TSHRPOLBHTTKDM4ESMN1; SMN2
SCHEMBL3014079 0.90 ALDH1A1 (0.41) HTTKDM4ESMN1; SMN2CYP3A4CYP2C9
SCHEMBL3006268 0.89 PKM (0.47) TSHRPOLBHTTKDM4ESMN1; SMN2
SCHEMBL3019139 0.89 TSHR (0.50) TSHRPOLBHTTKDM4ESMN1; SMN2
SCHEMBL3003684 0.89 LMNA (0.47) TSHRPOLBHTTSMN1; SMN2HSD17B10
SCHEMBL3007463 0.88 ALDH1A1 (0.52) TSHRPOLBHTTKDM4ESMN1; SMN2

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 TSHR 3320/4885POLB 4649/4885HTT 2/4885

“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.