SCHEMBL5406733

SCHEMBL5406733

COC(=O)[C@H](N)CNc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
LTA4H P09960 3/20 0.46
KMT2A Q03164 3/20 0.46
KIF11 P52732 1/20 0.45
SYK P43405 1/20 0.45
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
AGTR1 P30556 1/20 0.43
HTT P42858 1/20 0.42
TSHR P16473 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
SCHEMBL5406742 1.00 MAPT (0.51) MAPTLTA4HKMT2AKIF11SYK
SCHEMBL12549460 0.91 FNTA (0.53) MAPTLTA4HKMT2AALDH1A1RAB9A
SCHEMBL27468769 0.87 GAA (0.49) MAPTKMT2AALDH1A1RAB9AMEN1
SCHEMBL27467389 0.87 GAA (0.49) MAPTKMT2AALDH1A1RAB9AMEN1
SCHEMBL10163173 0.82 MAPT (0.54) MAPTKMT2AALDH1A1RAB9AMEN1
SCHEMBL7649244 0.82 MAPT (0.47) MAPTKMT2AALDH1A1RAB9AMEN1
SCHEMBL3198336 0.82 ALPI (0.52) MAPTLTA4HKIF11
SCHEMBL1339972 0.82 ALPI (0.52) MAPTLTA4HKIF11
SCHEMBL6086624 0.81 MAPT (0.57) MAPTKMT2AALDH1A1RAB9AMEN1
SCHEMBL4026649 0.78 KMT2A (0.46) MAPTLTA4HKMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 US disclosed
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases COURNOYER RICHARD L 2006-02-16 US disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 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 (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-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases AGTR1, AGTR2, PTGIR MAPT 3809/4885LTA4H 371/4885KMT2A 4027/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 MAPT 4745/4885LTA4H 1020/4885KMT2A 4130/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 MAPT 4783/4885LTA4H 1067/4885KMT2A 4182/4885

“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.