SCHEMBL7536231

SCHEMBL7536231

COc1ccc(CS(=O)(=O)c2ccc(F)c(C#N)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SLC22A12 Q96S37 6/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPAS1 Q99814 1/20 0.39

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
SCHEMBL7537002 0.93 SLC22A12 (0.43) SLC22A12EPAS1PTGS2
SCHEMBL7534775 0.90 CYP1A2 (0.42) SLC22A12TSHRLMNACYP1A2CYP3A4
SCHEMBL7540063 0.85 SIRT2 (0.48) ALDH1A1SLC22A12CA1CA2CA9
SCHEMBL7540327 0.77 POLB (0.50) SLC22A12POLBTSHRMAPK1EPAS1
SCHEMBL6677889 0.76 LMNA (0.67) ALDH1A1SLC22A12CA9TSHRMAPK1
SCHEMBL3246788 0.75 GABRA2 (0.45) SLC22A12EPAS1
SCHEMBL7533830 0.73 POLB (0.46) SLC22A12POLBTSHRMAPK1EPAS1
SCHEMBL16694535 0.73 SMN1; SMN2 (0.60) ALDH1A1PDE4DCA1CA2CA9
SCHEMBL7540460 0.72 CA2 (0.49) ALDH1A1CA1CA2CA9POLB
SCHEMBL6677133 0.71 LMNA (0.61) ALDH1A1SLC22A12TSHRSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6388131-B2 Benzenesulfonamide compounds, which encompasses the compound batabulin (2-Fluoro-1-methoxy-4-pentafluorophenylsulfonamidobenzene) TULARIK, INC. 2002-05-14 US disclosed
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US disclosed
US-6284923-B1 BENZENESULFONIMIDES FOR TREATMENT OF CANCER AND ANTICHOLESTEROL AGENTS TULARIK INC 2001-09-04 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-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 ALDH1A1 1173/4885SLC22A12 3172/4885PDE4A 3381/4885

“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.