SCHEMBL4668140

SCHEMBL4668140

CC1(C)CCC(C)(C)c2cc(CO)c(/C=C/S(N)(=O)=O)cc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.45
PTGS1 P23219 3/20 0.37
RARA P10276 5/20 0.35
RARB P10826 5/20 0.35
RARG P13631 5/20 0.35
RXRA P19793 10/20 0.34
CYP26B1 Q9NR63 1/20 0.34
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
GNRHR P30968 1/20 0.31

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
SCHEMBL14159831 0.87 PTGS2 (0.38) PTGS2PTGS1RARARARBRARG
SCHEMBL4668161 0.80 RARA (0.35) PTGS2PTGS1RARARARBRARG
SCHEMBL4668099 0.78 RXRA (0.37) PTGS2PTGS1RARARARBRARG
SCHEMBL14159883 0.72 RARB (0.68) RARARARBRARGRXRARXRB
SCHEMBL14017920 0.71 RARB (0.71) RARARARBRARGRXRARXRB
SCHEMBL697774 0.70 RXRA (0.50) RARARARBRARGRXRACYP26B1
SCHEMBL14018552 0.70 RARB (0.52) PTGS2PTGS1RARARARBRARG
SCHEMBL14159837 0.68 RARA (0.30) RARARARBRARG
SCHEMBL4669326 0.66 RARA (0.36) RARARARBRARGRXRACYP26B1
SCHEMBL4781418 0.66 RARA (0.36) RARARARBRARGRXRACYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324970-B1 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1935869-A1 Retinoids for the treatment of emphysema F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
EP-1935869-A1 Retinoids for the treatment of emphysema F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
US-6777418-B2 FOR TREATING OR PREVENTING EMPHYSEMA, CANCER AND DERMATOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-08-17 US disclosed
EP-1324970-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
US-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders SYNTEX (U.S.A.) LLC 2002-06-27 US disclosed
WO-2002028810-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2002-04-11 WO 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-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders RXRA, RXRG, RXRB PTGS2 594/4885PTGS1 443/4885RARA 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.