SCHEMBL19728623

SCHEMBL19728623

CC(C)(C)c1ccc(-c2ccccc2NOS(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 2/20 0.41
▸ UQCRB P14927 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ CA2 P00918 3/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ KDM1A O60341 1/20 0.38

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
SCHEMBL19728622 0.84 MCOLN3 (0.49) CA2CA1ALDH1A1L3MBTL1KDM1A
SCHEMBL13618709 0.74 TRPV1 (0.44) HSD17B2UQCRBTRPV1CA2CA1
SCHEMBL22388748 0.72 TRPV1 (0.56) TRPV1CA2CA1CHRM3ALDH1A1
SCHEMBL4741129 0.72 TACR1 (0.51) TRPV1CHRM3ALDH1A1NPC1RAB9A
SCHEMBL25450282 0.71 KCNK18 (0.44) TRPV1CHRM3ALDH1A1L3MBTL1LMNA
SCHEMBL5358209 0.71 KIF11 (0.44) CHRM3
SCHEMBL12632135 0.69 CA1 (0.53) TRPV1CA2CA1ALDH1A1NPC1
SCHEMBL4904785 0.68 KIF11 (0.48) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL21226201 0.68 ABCG2 (0.48) NPC1RAB9ALMNAMCOLN3SMN1; SMN2
SCHEMBL29407530 0.68 ABCG2 (0.48) NPC1RAB9ALMNAMCOLN3SMN1; SMN2

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-20170362263-A1 PHOSPHORUS LIGANDS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-21 — — 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-20170362263-A1 PHOSPHORUS LIGANDS AND METHODS OF USE PNKP, PLCB3, PLCB1 HSD17B2 4086/4885UQCRB 4287/4885TRPV1 1862/4885

“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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