SCHEMBL23720154

SCHEMBL23720154

O=S(=O)(c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
CYP2C19 P33261 1/20 0.47
NPY2R P49146 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
PLA2G7 Q13093 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
TSHR P16473 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
SCHEMBL10479258 0.80 ALDH1A1 (0.47) HTR6CA1CA2ALDH1A1HSD17B10
SCHEMBL7547404 0.80 HTR6 (0.48) HTR6CA1CA2ALDH1A1HSD17B10
SCHEMBL29827353 0.79 NPY2R (0.38) HTR6CYP2C19NPY2RCA1CA2
SCHEMBL28414975 0.79 LMNA (0.56) ALDH1A1HSD17B10TDP1TSHRSMN1; SMN2
SCHEMBL28891448 0.78 NPY2R (0.46) HTR6CYP2C19NPY2RALDH1A1TDP1
SCHEMBL28335740 0.78 HTR6 (0.49) HTR6NPY2RCA1CA2ALDH1A1
SCHEMBL11848869 0.76 HTR6 (0.44) HTR6CA1CA2ALDH1A1HSD17B10
SCHEMBL9197961 0.76 HTR6 (0.44) HTR6CA1CA2ALDH1A1HSD17B10
SCHEMBL7637220 0.76 GBA1 (0.47) HTR6CA1CA2ALDH1A1HSD17B10
SCHEMBL780336 0.76 CYP2C19 (0.52) HTR6CYP2C19ALDH1A1TSHRSRC

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-20210238133-A1 CYCLOPROPANATION METHOD OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2021-08-05 US disclosed
CN-110511166-A A kind of synthetic method of two arylmethyls alkyl sulfone UNIV CHENGDU TECHNOLOGY 2019-11-29 CN 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-20210238133-A1 CYCLOPROPANATION METHOD ADH1A, ADH1C, ADH5 HTR6 3570/4885CYP2C19 346/4885NPY2R 4782/4885

“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.