SCHEMBL5401375

SCHEMBL5401375

CC(=O)OCc1ccc2oc(-c3ccccc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
NPC1 O15118 7/20 0.57
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
ALDH1A1 P00352 4/20 0.57
POLB P06746 3/20 0.57
CASP3 P42574 4/20 0.53
SENP7 Q9BQF6 4/20 0.53
SENP6 Q9GZR1 4/20 0.53
HPGD P15428 4/20 0.53
SENP8 Q96LD8 3/20 0.53
HDAC6 Q9UBN7 1/20 0.52
MAPK1 P28482 1/20 0.52
KDR P35968 2/20 0.52
HPSE Q9Y251 2/20 0.50
TP53 P04637 2/20 0.48
PDE10A Q9Y233 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN5 P54829 1/20 0.48

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
SCHEMBL14338224 0.82 HPSE (0.49) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL507169 0.80 KDM4E (0.77) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5406486 0.80 HPSE (0.49) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5406479 0.80 HPSE (0.49) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5395595 0.79 HPSE (0.57) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5398947 0.79 HPSE (0.57) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27733001 0.79 CYP3A4 (0.47) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1736296 0.79 CETP (0.81) TP53MAPT
SCHEMBL14338225 0.78 SMN1; SMN2 (0.60) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10289630 0.78 SMN1; SMN2 (0.74) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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 10 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-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
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 KDM4E 4329/4885NPC1 3982/4885RAB9A 2922/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 KDM4E 4477/4885NPC1 1848/4885RAB9A 1955/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 KDM4E 4538/4885NPC1 1903/4885RAB9A 1929/4885

“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.