SCHEMBL7147442

SCHEMBL7147442

COc1ccc(C(=O)O)cc1Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.63
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA7 P43166 1/20 0.57
TPMT P51580 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
LTB4R Q15722 4/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 2/20 0.56
KDM4E B2RXH2 1/20 0.56
THRB P10828 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL7154868 0.87 MEN1 (0.75) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL5442670 0.83 AURKA (0.67) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL7150111 0.81 KMT2A (0.70) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL2217939 0.80 CA12 (0.65) CA12CA1CA2CA4CA6
SCHEMBL7152146 0.80 KMT2A (0.69) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL7155125 0.80 KMT2A (0.69) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL13561126 0.80 HDAC1 (0.79) RAB9ALTB4RALDH1A1MAPTGAA
SCHEMBL4640305 0.80 MAPT (0.72) CDC25BNPC1ALDH1A1MAPTGAA
SCHEMBL7148111 0.80 MEN1 (0.65) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL10742633 0.79 CA12 (0.64) CA12CA1CA2CA4CA6

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-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US claimed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP claimed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO claimed
US-6528528-B2 Inhibitors of 15-lipoxygenase, inhibiting chemotaxis of monocytes WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
US-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis CONNOR DAVID THOMAS (US) 2001-10-18 US disclosed
US-6268387-B1 INHIBITORS OF THE ENZYME 15-LIPOXYGENASE AND ARE INHIBITORS OF MONOCYTE CHEMOTAXIS. WARNER-LAMBERT COMPANY 2001-07-31 US disclosed
EP-1042276-A1 THIOUREA COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY LLC (US) 2000-10-11 EP disclosed
WO-1999032433-A1 THIOUREA AND BENZAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING OR PREVENTING INFLAMMATORY DISEASES AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1999-07-01 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 (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-20010031874-A1 Thiourea and benzamide compounds, compositions and methods of treating or preventing inflammatory diseases and atherosclerosis TPMT, CTH, CBS CDC25B 2529/4885CA12 4639/4885CA1 4089/4885

“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.