SCHEMBL18181737

SCHEMBL18181737

Bc1ccccc1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
LOX P28300 1/20 0.37
DRD2 P14416 1/20 0.36
HSD11B1 P28845 1/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
GAA P10253 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA12 O43570 1/20 0.34
CYP2C9 P11712 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL8106699 0.81 LOX (0.47) BCAT2ALDH1A1KDM4ERAB9ALOX
SCHEMBL12181335 0.75 ALDH1A1 (0.44) ALDH1A1KDM4ERAB9AGAACA1
SCHEMBL7380435 0.75 TSHR (0.44) ALDH1A1KDM4EGAACA1CA2
SCHEMBL15478545 0.75 CYP1A2 (0.47) ALDH1A1GAACA1CA2CA4
SCHEMBL942877 0.73 G6PD (0.39) BCAT2LOXDRD2HSD11B1GAA
SCHEMBL12307 0.72 L3MBTL1 (0.50) BCAT2ALDH1A1KDM4EHSD11B1L3MBTL1
SCHEMBL28278788 0.72 L3MBTL1 (0.50) BCAT2ALDH1A1KDM4EHSD11B1L3MBTL1
SCHEMBL670704 0.72 BCAT2 (0.41) BCAT2ALDH1A1KDM4ERAB9ALOX
SCHEMBL18091011 0.72 ADRA2C (0.41) ALDH1A1KDM4ERAB9AGAACA12
SCHEMBL8450545 0.71 ALDH1A1 (0.44) BCAT2ALDH1A1LOXGAACA1

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-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 US disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 US disclosed
WO-2016169504-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF 广州再极医药科技有限公司 2016-10-27 WO disclosed
CN-104903300-A Comt inhibitors HOFFMANN LA ROCHE 2015-09-09 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 (2 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-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS YAP1, MYC, TEAD2 BCAT2 2321/4885ALDH1A1 3497/4885KDM4E 1536/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 BCAT2 2321/4885ALDH1A1 3497/4885KDM4E 1536/4885

“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.