SCHEMBL17217161

SCHEMBL17217161

Oc1ccc(-c2ccc(Cl)cc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.52
ESR2 Q92731 4/20 0.52
CYP2C19 P33261 4/20 0.47
APP P05067 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 2/20 0.46
FASN P49327 1/20 0.45
GRM2 Q14416 1/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL29434869 1.00 ESR1 (0.52) ESR1ESR2CYP2C19APPCYP2C9
SCHEMBL15596256 0.88 ESR1 (0.61) ESR1ESR2CYP2C19APPCYP2C9
SCHEMBL23638836 0.87 GRM2 (0.49) ESR1ESR2FASNGRM2SMN1; SMN2
SCHEMBL31067155 0.83 NPC1 (0.49) CYP2C19APPCYP2C9CYP3A4FASN
SCHEMBL20898100 0.83 NPC1 (0.49) CYP2C19APPCYP2C9CYP3A4FASN
SCHEMBL38659424 0.83 ESR1 (0.70) ESR1ESR2CYP2C19APPCYP2C9
SCHEMBL28226426 0.83 ESR1 (0.70) ESR1ESR2CYP2C19APPCYP2C9
SCHEMBL28901881 0.82 ESR1 (0.53) ESR1ESR2CYP2C19APPCYP2C9
SCHEMBL9858166 0.81 ESR1 (0.57) ESR1ESR2CYP2C19APPCYP2C9
SCHEMBL29901376 0.81 ESR1 (0.57) ESR1ESR2CYP2C19APPCYP2C9

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-9963480-B2 Nucleoside phosphoramidate compound and use thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2018-05-08 US disclosed
EP-2940031-B1 NUCLEOSIDE PHOSPHORAMIDATE COMPOUNDS FOR USE IN THE TREATMENT OF HCV NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2017-09-27 EP disclosed
US-20150361123-A1 NOVEL NUCLEOSIDE PHOSPHORAMIDATE COMPOUND AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD (CN) 2015-12-17 US disclosed
EP-2940031-A1 NOVEL NUCLEOSIDE PHOSPHORAMIDATE COMPOUND AND USE THEREOF Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2015-11-04 EP 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-20150361123-A1 NOVEL NUCLEOSIDE PHOSPHORAMIDATE COMPOUND AND USE THEREOF PNP, NUDT1, SLC28A1 ESR1 4697/4885ESR2 4818/4885CYP2C19 2680/4885

“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.