SCHEMBL3015985

SCHEMBL3015985

O=S(=O)(c1ccc(OC(F)(F)F)cc1)C1CCN(c2nc(Cc3cc(Cl)cc(Cl)c3)cs2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.37
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
HTR2A P28223 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
PRCP P42785 1/20 0.35
AVPR1B P47901 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL3002607 0.96 METAP2 (0.38) LIPEITGB1ITGA4HTR2AMMP2
SCHEMBL3015610 0.93 PSEN1 (0.38) LIPEHTR2AMMP2MMP9DRD2
SCHEMBL3019431 0.91 LIPE (0.39) LIPEHTR2AMMP2MMP9DRD2
SCHEMBL3003366 0.91 DRD2 (0.36) LIPEHTR2AMMP2MMP9DRD2
SCHEMBL3017294 0.91 CSNK1D (0.36) LIPEMMP2MMP9AVPR1BHDAC3
SCHEMBL3016319 0.90 LIPE (0.40) LIPEHTR2AMMP2MMP9AVPR1B
SCHEMBL3006121 0.90 LIPE (0.36) LIPEHTR2AMMP2MMP9DRD2
SCHEMBL3013530 0.90 RAB9A (0.36) LIPEHTR2AMMP2MMP9AVPR1B
SCHEMBL3018194 0.89 HTR2A (0.39) LIPEHTR2AMMP2MMP9HTR2C
SCHEMBL3023492 0.89 LIPE (0.36) LIPEHTR2AMMP2MMP9DRD2

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-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 LIPE 2030/4885ITGB1 3646/4885ITGA4 4306/4885

“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.