SCHEMBL2682928

SCHEMBL2682928

CC1(C)CCS(O)(O)c2ccc(C#Cc3ccc(C(=O)O)cn3)cc21

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.64
CYP26A1 O43174 2/20 0.64
RARB P10826 12/20 0.50
RARG P13631 12/20 0.50
RARA P10276 9/20 0.50
CRABP2 P29373 1/20 0.50
KMT2A Q03164 1/20 0.49
RXRA P19793 5/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 3/20 0.41
GRM5 P41594 3/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL2682931 0.90 CYP3A4 (0.64) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL2681151 0.86 RARB (0.68) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL5084210 0.83 CYP3A4 (0.72) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL8875459 0.80 CYP3A4 (0.67) CYP3A4CYP26A1RARBRARGRARA
Tazarotenic Acid SCHEMBL678713 0.78 CYP3A4 (1.00) CYP3A4CYP26A1RARBRARGRARA
Tazarotenic Acid SCHEMBL29466098 0.78 CYP3A4 (1.00) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6665934 0.78 RARB (0.76) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL1320433 0.78 CYP3A4 (0.65) CYP3A4CYP26A1RARBRARGRARA
Tazarotenic Acid SCHEMBL29433140 0.78 CYP3A4 (1.00) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL2681154 0.77 RARB (0.68) CYP3A4CYP26A1RARBRARGRARA

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-9062037-B2 Tazarotene derivatives STIEFEL LABORATORIES, INC. (US) 2015-06-23 US disclosed
US-20140357672-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20140357669-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2014-12-04 US disclosed
US-20120115909-A1 TAZAROTENE DERIVATIVES STIEFEL LABORATORIES, INC. 2012-05-10 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 (3 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-20140357672-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB CYP3A4 1033/4885CYP26A1 389/4885RARB 5/4885
US-20140357669-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB CYP3A4 1033/4885CYP26A1 389/4885RARB 5/4885
US-20120115909-A1 TAZAROTENE DERIVATIVES RXRA, RARA, RXRB CYP3A4 1033/4885CYP26A1 389/4885RARB 5/4885

“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.