SCHEMBL6898533

SCHEMBL6898533

N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.53
PSAT1 Q9Y617 2/20 0.53
PPARG P37231 9/20 0.51
PPARA Q07869 7/20 0.51
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
DPP4 P27487 1/20 0.48
SLC1A5 Q15758 1/20 0.47
MC4R P32245 1/20 0.45
MC5R P33032 1/20 0.45
MC3R P41968 1/20 0.45
FFAR1 O14842 1/20 0.45
TPH1 P17752 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CTSH P09668 1/20 0.44
CYP2D6 P10635 1/20 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
Hydrochloric Acid SCHEMBL6898530 0.98 SRR (0.54) SRRPSAT1PPARGPPARAALPI
SCHEMBL27990659 0.94 PPARG (0.55) SRRPSAT1PPARGPPARAALPI
SCHEMBL27373982 0.90 ALPI (0.61) SRRPPARGPPARAALPIPKM
SCHEMBL7780318 0.90 ALPI (0.61) SRRPPARGPPARAALPIPKM
SCHEMBL1449126 0.90 ALPI (0.61) SRRPPARGPPARAALPIPKM
Hydrochloric Acid SCHEMBL6896783 0.89 ALPI (0.59) SRRPPARGPPARAALPIPKM
SCHEMBL1047510 0.88 SLC7A5 (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27920353 0.88 SLC7A5 (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27974928 0.88 SLC7A5 (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6895770 0.86 PPARG (0.49) PPARGPPARAALPIPKMPTGS1

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-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH SRR 109/4885PSAT1 4047/4885PPARG 3342/4885

“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.