SCHEMBL7089936

SCHEMBL7089936

COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](NCl)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
POLB P06746 3/20 0.53
CNR1 P21554 1/20 0.53
MMP2 P08253 5/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
PGR P06401 1/20 0.49
MMP9 P14780 4/20 0.48
MMP13 P45452 3/20 0.48
MMP1 P03956 2/20 0.48
MMP8 P22894 2/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
KEAP1 Q14145 2/20 0.48
SQSTM1 Q13501 1/20 0.48
NFE2L2 Q16236 1/20 0.48

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
SCHEMBL7623463 1.00 ALDH1A1 (0.53) ALDH1A1POLBCNR1MMP2CA12
SCHEMBL7093232 0.85 MMP2 (0.47) ALDH1A1POLBMMP2CA12CA9
SCHEMBL2240506 0.84 SLC1A3 (0.54) ALDH1A1POLBCNR1MMP2CA12
SCHEMBL2240510 0.84 SLC1A3 (0.54) ALDH1A1POLBCNR1MMP2CA12
SCHEMBL7093073 0.84 SLC1A3 (0.54) ALDH1A1POLBCNR1MMP2CA12
SCHEMBL7093075 0.84 SLC1A3 (0.54) ALDH1A1POLBCNR1MMP2CA12
SCHEMBL810235 0.84 SLC1A3 (0.54) ALDH1A1POLBCNR1MMP2CA12
SCHEMBL6433794 0.84 NPSR1 (0.54) ALDH1A1MMP2CA12CA9CA14
SCHEMBL6005934 0.84 NPSR1 (0.54) ALDH1A1MMP2CA12CA9CA14
SCHEMBL7091243 0.84 NPSR1 (0.54) ALDH1A1MMP2CA12CA9CA14

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-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-12-04 US disclosed
EP-1209150-A1 PROCESSES FOR THE PREPARATION OF TRICYCLIC AMINO ALCOHOL DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 2002-05-29 EP 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-20030225289-A1 Process for the preparation of tricyclic amino alcohol derivatives ADH1A, ADH1C, OXER1 ALDH1A1 80/4885POLB 2448/4885CNR1 54/4885

“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.