SCHEMBL790544

SCHEMBL790544

C[C@H](NP(=S)(Cl)Oc1ccccc1)C(=O)OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
DPP7 Q9UHL4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
ANPEP P15144 2/20 0.39
LTA4H P09960 1/20 0.39
LAP3 P28838 1/20 0.39
NPEPPS P55786 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
METAP2 P50579 2/20 0.38
METAP1 P53582 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37

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
SCHEMBL769366 0.88 CYP19A1 (0.41) CYP19A1DPP7MMP2MMP9ANPEP
SCHEMBL17378512 0.88 CYP19A1 (0.41) CYP19A1DPP7MMP2MMP9ANPEP
SCHEMBL18849194 0.88 CYP19A1 (0.41) CYP19A1DPP7MMP2MMP9ANPEP
SCHEMBL16368143 0.88 CYP19A1 (0.41) CYP19A1DPP7MMP2MMP9ANPEP
SCHEMBL14999628 0.87 DPP7 (0.40) CYP19A1DPP7MMP2MMP9ANPEP
SCHEMBL15011851 0.87 DPP7 (0.40) CYP19A1DPP7MMP2MMP9ANPEP
SCHEMBL16015970 0.85 MEN1 (0.43) CYP19A1DPP7MMP2MMP9ANPEP
SCHEMBL19206391 0.84 BTN3A1 (0.39) CYP19A1DPP7MMP2MMP9ANPEP
SCHEMBL13921737 0.84 CYP19A1 (0.42) CYP19A1DPP7MMP2MMP9ANPEP
SCHEMBL13921736 0.84 CYP19A1 (0.42) CYP19A1DPP7MMP2MMP9ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278990-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-03-08 US disclosed
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-02-05 US disclosed
US-8871737-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-10-28 US disclosed
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US 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-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP CYP19A1 4058/4885DPP7 1978/4885ALDH1A1 2567/4885
US-20150038451-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP CYP19A1 4058/4885DPP7 1978/4885ALDH1A1 2567/4885

“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.