SCHEMBL20681738

SCHEMBL20681738

CC(C)(C)c1ccc(Oc2ccc(-c3nc4ccc(S(=O)(=O)c5ccc6[nH]c(C(C)(C)C)nc6c5)cc4[nH]3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 9/20 0.53
▸ TRPV1 Q8NER1 2/20 0.52
▸ NPBWR1 P48145 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HPSE Q9Y251 1/20 0.45
▸ SCD O00767 3/20 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
SCHEMBL18629758 0.84 TRPV1 (0.63) CHEK2TRPV1NPBWR1HDAC6HPSE
SCHEMBL26358087 0.80 HDAC6 (0.60) TRPV1NPBWR1HDAC6SCD
SCHEMBL20681741 0.78 CHEK2 (0.46) CHEK2TRPV1NPBWR1HDAC6HPSE
SCHEMBL9058427 0.77 HDAC6 (0.62) TRPV1NPBWR1HDAC6SCD
SCHEMBL12250680 0.77 HDAC6 (0.61) TRPV1NPBWR1HDAC6SCD
SCHEMBL22326618 0.77 SCN10A (0.55) CHEK2TRPV1NPBWR1HDAC6SCD
SCHEMBL12961102 0.76 SCN10A (0.46) TRPV1HDAC6
SCHEMBL19190854 0.76 CHEK2 (0.64) CHEK2TRPV1HPSE
SCHEMBL10330717 0.75 CHEK2 (0.51) CHEK2NPBWR1HPSE
SCHEMBL4182601 0.73 CHEK2 (0.67) CHEK2TRPV1NPBWR1HDAC6HPSE

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-10188992-B2 Polybenzimidazoles and methods of making and using thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-01-29 — — 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-10188992-B2 Polybenzimidazoles and methods of making and using thereof PHB2, SI, NISCH CHEK2 1763/4885TRPV1 380/4885NPBWR1 3374/4885

“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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