SCHEMBL4155331

SCHEMBL4155331

C[C@@H](O)[CH]Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
TRPA1 O75762 3/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ARG2 P78540 1/20 0.42
TAAR1 Q96RJ0 5/20 0.41
SLC6A2 P23975 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SLC18A2 Q05940 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3295095 1.00 MAOB (0.48) MAOBTRPA1CA1CA2ARG2
SCHEMBL8577158 0.82 MAOB (0.48) MAOBTRPA1CA1CA2ARG2
SCHEMBL1289345 0.81 MAOB (0.52) MAOBTRPA1CA1CA2ARG2
SCHEMBL1396038 0.79 MAOB (0.41) MAOBTRPA1CA1CA2ARG2
SCHEMBL3295725 0.78 TRPA1 (0.46) MAOBTRPA1CA1CA2ARG2
SCHEMBL8714626 0.78 TDP1 (0.43) TRPA1SIGMAR1CYP2D6TSHRKMT2A
SCHEMBL8174260 0.77 MAOB (0.48) MAOBTRPA1CA1CA2ARG2
SCHEMBL794180 0.76 MAOB (0.46) MAOBTRPA1TAAR1SLC6A2SIGMAR1
SCHEMBL5680524 0.76 MAOB (0.46) MAOBTRPA1TAAR1SLC6A2SIGMAR1
SCHEMBL11098509 0.76 SIGMAR1 (0.50) MAOBTRPA1TAAR1SLC6A2SIGMAR1

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-20090203742-A1 BROADSPECTRUM 2-AMINO-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS SURLERAUX DOMINIQUE LOIS NESTO 2009-08-13 US disclosed
US-7199148-B2 Broadspectrum substituted oxindole sulfonamide HIV protease inhibitors TIBOTEC PHARMACEUTICALS LTD (IE) 2007-04-03 US disclosed
US-20060058368-A1 Broadspectrum substituted oxindole sulfonamide hiv protease inhibitors TIBOTEC PHARMACEUTICALS, LTD. (IE) 2006-03-16 US disclosed
US-20050267156-A1 Broadspectrum 2-amino-benzothiazole sulfonamide hiv protease inhibitors TIBOTEC PHARMACEUTICALS LTD. 2005-12-01 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 (3 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-20090203742-A1 BROADSPECTRUM 2-AMINO-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS2 MAOB 2623/4885TRPA1 1449/4885CA1 3407/4885
US-20060058368-A1 Broadspectrum substituted oxindole sulfonamide hiv protease inhibitors CYP2S1, CYP2C8, CYP8B1 MAOB 399/4885TRPA1 3896/4885CA1 1831/4885
US-20050267156-A1 Broadspectrum 2-amino-benzothiazole sulfonamide hiv protease inhibitors PRSS1, SPINT2, TMPRSS2 MAOB 2586/4885TRPA1 1444/4885CA1 3364/4885

“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.