SCHEMBL3216591

SCHEMBL3216591

CC1CCCN1S(=O)(=O)c1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
KMT2A Q03164 1/20 0.49
CCR1 P32246 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
AKR1C3 P42330 7/20 0.45
ACHE P22303 1/20 0.45
HTR6 P50406 1/20 0.45
EPHX2 P34913 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL3216585 1.00 ALOX15 (0.52) ALOX15KMT2ACCR1PSEN1PSEN2
SCHEMBL6186634 0.83 ALOX15 (0.53) ALOX15KMT2APSEN1PSEN2APH1B
SCHEMBL15924853 0.83 MAPT (0.45) KMT2ACCR1ALDH1A1HTR6EPHX2
SCHEMBL10067926 0.82 CHRM4 (0.56) ALOX15KMT2ACCR1PSEN1PSEN2
SCHEMBL31717377 0.79 HTT (0.53) ALDH1A1HTTEPHX2
SCHEMBL15917032 0.78 PRKACA (0.57) ALOX15KMT2ACCR1ALDH1A1HTT
SCHEMBL15917140 0.78 PRKACA (0.57) ALOX15KMT2ACCR1ALDH1A1HTT
SCHEMBL3221082 0.78 OPRK1 (0.54) CCR1HTR6EPHX2
SCHEMBL15917030 0.78 PRKACA (0.57) ALOX15KMT2ACCR1ALDH1A1HTT
SCHEMBL3221077 0.78 OPRK1 (0.54) CCR1HTR6EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035873-A1 Diaryl Compounds and Uses Thereof PFIZER INC 2010-02-11 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-20100035873-A1 Diaryl Compounds and Uses Thereof OPRK1, OPRD1, OPRL1 ALOX15 2226/4885KMT2A 1382/4885CCR1 340/4885

“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.