SCHEMBL22601564

SCHEMBL22601564

CC(C)(SS)c1cc(S(N)(=O)=O)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.41
▸ CA2 P00918 6/20 0.41
▸ CA12 O43570 5/20 0.36
▸ CA9 Q16790 5/20 0.36
▸ CA6 P23280 3/20 0.36
▸ CA7 P43166 3/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ CA5A P35218 2/20 0.36
▸ CA5B Q9Y2D0 2/20 0.36
▸ PLG P00747 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ PLAT P00750 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL22601565 0.81 CA1 (0.48) CA1CA2CA12CA9CA6
SCHEMBL18523243 0.70 CCR1 (0.48) PLAUALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL14317797 0.70 CA1 (0.46) CA1CA2CA12CA9CA6
SCHEMBL19464510 0.66 SMN1; SMN2 (0.48) ALDH1A1CYP1A2LMNA
SCHEMBL29932783 0.66 CA1 (0.47) CA1CA2CA12CA9CA6
SCHEMBL23364654 0.66 CA1 (0.47) CA1CA2CA12CA9CA6
SCHEMBL24669127 0.66 CA2 (0.48) CA1CA2CA12CA9CA6
SCHEMBL2241153 0.66 CA1 (0.47) CA1CA2CA12CA9CA6
SCHEMBL24221428 0.66 CYP1A2 (0.46) CA1CA2CA12CA9CA6
SCHEMBL18945302 0.66 LMNA (0.36) ALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 — — 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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 CA1 4243/4885CA2 4593/4885CA12 4819/4885

“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.

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