SCHEMBL3044068

SCHEMBL3044068

O=S(=O)(NCC1CCCO1)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.69
CNR1 P21554 6/20 0.63
MAPK1 P28482 1/20 0.60
TSHR P16473 2/20 0.56
PKM P14618 1/20 0.54
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NR2F2 P24468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 2/20 0.50

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
SCHEMBL3044139 0.82 CNR2 (1.00) CNR2CNR1MAPK1TSHR
SCHEMBL3018096 0.82 CNR2 (0.67) CNR2CNR1
SCHEMBL3040792 0.81 CNR2 (0.72) CNR2CNR1
SCHEMBL3030369 0.78 CNR2 (1.00) CNR2CNR1MAPK1
SCHEMBL3040656 0.78 CNR2 (1.00) CNR2CNR1HTT
SCHEMBL3045729 0.77 CNR2 (1.00) CNR2CNR1MAPK1TSHRPKM
SCHEMBL3042547 0.77 CNR2 (1.00) CNR2CNR1MAPK1
SCHEMBL3038878 0.77 CNR2 (1.00) CNR2CNR1MAPK1
SCHEMBL3039142 0.77 CNR2 (0.57) CNR2CNR1MAPK1TSHRPKM
SCHEMBL3079952 0.76 ALDH1A1 (0.79) TSHRRAB9AALDH1A1NR2F2SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422235-B2 Sulfonamide derivatives with therapeutic indications PHARMOS CORPORATION (US) 2016-08-23 US disclosed
US-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS PHARMOS CORPORATION 2010-03-04 US disclosed
EP-2139852-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS Pharmos Corporation (US) 2010-01-06 EP disclosed
WO-2008075353-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS PHARMOS CORPORATION (US) 2008-06-26 WO 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-20100056528-A1 SULFONAMIDE DERIVATIVES WITH THERAPEUTIC INDICATIONS SULT2A1, STS, SULT1A1 CNR2 41/4885CNR1 207/4885MAPK1 3952/4885

“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.