SCHEMBL381895

SCHEMBL381895

COc1cccc(-c2sc(C)cc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
GPR35 Q9HC97 2/20 0.47
LMNA P02545 1/20 0.47
PIN1 Q13526 1/20 0.47
NOTUM Q6P988 1/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
DHODH Q02127 1/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL381149 0.87 IKBKB (0.53) PTPN1ALDH1A1HPGDKDM4EUSP2
SCHEMBL381894 0.84 ALDH1A1 (0.54) ALDH1A1HPGDLMNAKDM4EDHODH
SCHEMBL13616901 0.81 ALDH1A1 (0.47) ALDH1A1HPGDLMNAKDM4EPOLB
SCHEMBL7078258 0.79 DHODH (0.54) PTPN1ALDH1A1HPGDGPR35LMNA
SCHEMBL28626834 0.77 PTPN1 (0.56) PTPN1ALDH1A1HPGDGPR35LMNA
SCHEMBL31223777 0.77 PTPN1 (0.56) PTPN1ALDH1A1HPGDGPR35LMNA
SCHEMBL269009 0.75 PIN1 (0.61) PTPN1ALDH1A1HPGDPIN1KDM4E
SCHEMBL7325594 0.75 DHODH (0.58) ALDH1A1HPGDGPR35LMNAPIN1
SCHEMBL28602602 0.75 DHODH (0.55) ALDH1A1HPGDGPR35LMNAPIN1
SCHEMBL27501023 0.75 GPR35 (0.56) ALDH1A1HPGDGPR35LMNAPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-10-04 US disclosed
EP-2408743-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-01-25 EP disclosed
WO-2010105930-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-23 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-20120252865-A1 CARBAMATE DERIVATIVES IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISORDERS ACHE, CHRNA10, CHRNA5 PTPN1 4068/4885ALDH1A1 818/4885HPGD 1636/4885

“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.