SCHEMBL2999227

SCHEMBL2999227

O=C(CCl)Cc1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.48
SIGMAR1 Q99720 2/20 0.45
TAAR1 Q96RJ0 2/20 0.44
CNR1 P21554 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
SLC1A1 P43005 2/20 0.44
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
MAPK8 P45983 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SRC P12931 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL6864466 0.88 TAAR1 (0.50) VNN1TAAR1SLC1A1CASP3CASP7
SCHEMBL11178482 0.83 SRC (0.55) VNN1SIGMAR1PPARGPPARASLC1A1
SCHEMBL8053109 0.83 VNN1 (0.49) VNN1TAAR1SLC1A1CASP3CASP7
SCHEMBL6223832 0.83 VNN1 (0.50) VNN1SIGMAR1SLC1A1CASP3CASP7
SCHEMBL8498964 0.81 VNN1 (0.48) VNN1TAAR1SLC1A1CASP3CASP7
SCHEMBL3371173 0.81 VNN1 (0.45) VNN1TAAR1SLC1A1CASP3CASP7
SCHEMBL1149255 0.81 TAAR1 (0.47) SIGMAR1TAAR1SLC1A1CASP3CASP7
SCHEMBL27814786 0.80 FFAR1 (0.49) VNN1SIGMAR1SLC1A1MAPK8MEN1
Hydrochloric Acid SCHEMBL1150988 0.80 TAAR1 (0.52) VNN1TAAR1SLC1A1CASP3CASP7
SCHEMBL11202533 0.79 CTBP2 (0.53) SIGMAR1TAAR1KMT2A

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 VNN1 3929/4885SIGMAR1 1879/4885TAAR1 3812/4885

“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.