SCHEMBL6896205

SCHEMBL6896205

C[C@@H](NC(=O)N(CCO)CCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TSHR P16473 1/20 0.52
ACE P12821 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTA4H P09960 3/20 0.44
MME P08473 2/20 0.44
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 1/20 0.41
ANPEP P15144 1/20 0.41
ECE1 P42892 1/20 0.41

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
SCHEMBL6890154 1.00 LPAR1 (0.53) LPAR1KMT2AMEN1TSHRACE
SCHEMBL6898175 0.93 LPAR1 (0.57) LPAR1KMT2AMEN1TSHRACE
SCHEMBL6891314 0.92 LPAR1 (0.47) LPAR1KMT2AMEN1TSHRACE
SCHEMBL6897343 0.89 LPAR1 (0.46) LPAR1KMT2AMEN1TSHRACE
SCHEMBL6896834 0.88 LPAR1 (0.43) LPAR1KMT2AMEN1TSHRACE
SCHEMBL6898167 0.88 LPAR1 (0.43) LPAR1KMT2AMEN1TSHRTDP1
SCHEMBL6890174 0.88 HSD17B10 (0.44) LPAR1KMT2AMEN1TSHR
SCHEMBL6895177 0.87 LPAR1 (0.57) LPAR1KMT2AMEN1TSHRLTA4H
SCHEMBL6894648 0.86 MME (0.48) LPAR1ACEMME
SCHEMBL6894701 0.86 LPAR1 (0.48) LPAR1KMT2ASMN1; 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 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 4229/4885KMT2A 4759/4885MEN1 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.