SCHEMBL181739

SCHEMBL181739

COC(=O)c1cccc(NCC(=O)c2ccc(C(C)C)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.59
NPC1 O15118 6/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
AGTR1 P30556 2/20 0.59
HPGD P15428 1/20 0.59
AKR1C3 P42330 1/20 0.55
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
EGFR P00533 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47
PFKFB3 Q16875 1/20 0.47
PFKFB4 Q16877 1/20 0.47
MAPT P10636 5/20 0.46
GAA P10253 1/20 0.46
CASR P41180 1/20 0.46

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
SCHEMBL1505244 0.82 LOXL2 (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2AGTR1
SCHEMBL1505331 0.81 USP5 (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2AGTR1
SCHEMBL1505506 0.81 RAB9A (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2AGTR1
SCHEMBL135137 0.80 CASR (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL131563 0.80 RAB9A (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL8672958 0.78 RAB9A (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2AGTR1
SCHEMBL134016 0.78 EGFR (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2AGTR1
SCHEMBL18392373 0.76 HSD17B10 (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL19125260 0.76 RAB9A (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2AGTR1
SCHEMBL4604254 0.75 EGFR (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2AGTR1

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-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
EP-2402323-A2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2012-01-04 EP disclosed
EP-2363129-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-09-07 EP disclosed
EP-2316452-A1 Pyrrol derivatives, uses thereof PTC Therapeutics, Inc. (US) 2011-05-04 EP disclosed
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 US disclosed
EP-1799207-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044502-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2006-04-27 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 (2 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-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, RNMT, VHL RAB9A 3615/4885NPC1 1560/4885ALDH1A1 2509/4885
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL RAB9A 3615/4885NPC1 1560/4885ALDH1A1 2509/4885

“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.