SCHEMBL10149707

SCHEMBL10149707

C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)O)O[C@@]1(C#N)c1ccc2c(N)ncnn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.38
▸ DNPH1 O43598 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ TRPM2 O94759 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ FBP1 P09467 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ P2RY2 P41231 1/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL18697844 1.00 POLRMT (0.38) POLRMTDNPH1PRKAB2TRPM2LDHA
Gs-441326 SCHEMBL10149536 0.92 POLRMT (0.47) POLRMTENTPD1
SCHEMBL10142507 0.91 POLRMT (0.38) POLRMTDNPH1PRKAB2TRPM2LDHA
SCHEMBL10148632 0.90 TMPRSS2 (0.34) DNPH1SIRT2SIRT1TMPRSS2
SCHEMBL881586 0.87 DNPH1 (0.36) POLRMTDNPH1PRKAB2TRPM2LDHA
SCHEMBL18214657 0.87 POLRMT (0.38) POLRMTDNPH1PRKAB2TRPM2LDHA
SCHEMBL10171206 0.85 POLRMT (0.36) POLRMTTMPRSS2
SCHEMBL881677 0.85 TMPRSS2 (0.40) POLRMTTMPRSS2
SCHEMBL12464640 0.84 POLRMT (0.45) POLRMTENTPD1
SCHEMBL16519864 0.84 POLRMT (0.38) POLRMTDNPH1PRKAB2TRPM2LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150608-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2017-04-05 — — EP disclosed
EP-2480552-B1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2016-11-09 — — EP disclosed
US-8455451-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-06-04 — — US disclosed
US-8455451-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-06-04 — — US disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 — — US disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 — — US disclosed
US-7973013-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-07-05 — — US disclosed
US-7973013-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-07-05 — — US disclosed
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-03-24 — — US disclosed
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-03-24 — — 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-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, CDA POLRMT 281/4885DNPH1 1531/4885PRKAB2 1942/4885
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, RNGTT, SLC29A1 POLRMT 188/4885DNPH1 1531/4885PRKAB2 1915/4885

“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.

Send feedback