SCHEMBL16144148

SCHEMBL16144148

NCCOP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.75
TGM2 P21980 1/20 0.75
KRAS P01116 9/20 0.72
FUT5 Q11128 1/20 0.67
P2RY2 P41231 1/20 0.63
P2RY4 P51582 1/20 0.63
P2RY6 Q15077 1/20 0.63
HINT1 P49773 1/20 0.62
P2RX3 P56373 1/20 0.62
IMPDH2 P12268 5/20 0.62
IMPDH1 P20839 1/20 0.62

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
SCHEMBL21742889 1.00 NT5E (0.75) NT5ETGM2KRASFUT5P2RY2
SCHEMBL21742748 0.97 TGM2 (0.78) NT5ETGM2KRASFUT5P2RY2
SCHEMBL16113890 0.97 TGM2 (0.78) NT5ETGM2KRASFUT5P2RY2
SCHEMBL16113893 0.97 TGM2 (0.78) NT5ETGM2KRASFUT5P2RY2
SCHEMBL8202050 0.95 NT5E (0.83) NT5ETGM2KRASFUT5P2RY2
SCHEMBL6537528 0.93 NT5E (0.71) NT5ETGM2KRASFUT5P2RY2
SCHEMBL24322609 0.93 NT5E (0.75) NT5ETGM2KRASFUT5P2RY2
SCHEMBL21171613 0.93 NT5E (0.75) NT5ETGM2KRASFUT5P2RY2
SCHEMBL18769051 0.93 NT5E (0.75) NT5ETGM2KRASFUT5P2RY2
SCHEMBL18769050 0.93 NT5E (0.75) NT5ETGM2KRASFUT5P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723753-B2 Ras inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-28 US disclosed
US-10723753-B2 Ras inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-28 US disclosed
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-18 US disclosed
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-18 US disclosed
US-20160046661-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-18 US disclosed
WO-2014160200-A9 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-11-27 WO disclosed
WO-2014160200-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-10-02 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-20160046661-A1 RAS INHIBITORS AND USES THEREOF KRAS, NRAS, RASGRP1 NT5E 2879/4885TGM2 3081/4885KRAS 1/4885
US-10723753-B2 Ras inhibitors and uses thereof KRAS, NRAS, RASGRP1 NT5E 2879/4885TGM2 3081/4885KRAS 1/4885

“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.