SCHEMBL6898167

SCHEMBL6898167

C[C@H](NC(=O)N(CCO)CCc1ccc(F)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.43
MME P08473 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.40
MMP2 P08253 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
AOC3 Q16853 1/20 0.38
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6898643 0.94 LPAR1 (0.47) LPAR1MMEMEN1KMT2AMAPK1
SCHEMBL6897343 0.88 LPAR1 (0.46) LPAR1MEN1KMT2AMAPK1TSHR
SCHEMBL6890154 0.88 LPAR1 (0.53) LPAR1MMEMEN1KMT2ATSHR
SCHEMBL6896205 0.88 LPAR1 (0.53) LPAR1MMEMEN1KMT2ATSHR
SCHEMBL6890174 0.87 HSD17B10 (0.44) LPAR1MEN1KMT2ATSHRPPARG
SCHEMBL6891314 0.86 LPAR1 (0.47) LPAR1MMEMEN1KMT2ATSHR
SCHEMBL6894701 0.85 LPAR1 (0.48) LPAR1KMT2AAOC3
SCHEMBL6896834 0.85 LPAR1 (0.43) LPAR1MEN1KMT2ATSHRCYP3A4
SCHEMBL6895896 0.84 LPAR1 (0.39) LPAR1MMEMEN1KMT2AMAPK1
SCHEMBL27560035 0.84 LPAR1 (0.39) LPAR1MMEMEN1KMT2AMAPK1

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 LPAR1 4229/4885MME 1516/4885MEN1 4882/4885

“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.