SCHEMBL16144169

SCHEMBL16144169

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

nearest known ligand 0.94

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KRAS P01116 13/20 0.94
TGM2 P21980 1/20 0.67
NT5E P21589 1/20 0.65
IMPDH2 P12268 1/20 0.59
FUT5 Q11128 1/20 0.59
HINT1 P49773 2/20 0.56
P2RY2 P41231 1/20 0.56
P2RY4 P51582 1/20 0.56
P2RY6 Q15077 1/20 0.56

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
SCHEMBL17539261 0.97 KRAS (1.00) KRASTGM2NT5EIMPDH2FUT5
SCHEMBL17532544 0.96 KRAS (0.86) KRASTGM2NT5EIMPDH2FUT5
SCHEMBL17539279 0.95 KRAS (0.85) KRASTGM2NT5EIMPDH2FUT5
SCHEMBL22268205 0.91 KRAS (0.89) KRASTGM2NT5EFUT5P2RY2
SCHEMBL17539280 0.89 KRAS (0.94) KRASTGM2NT5EFUT5HINT1
SCHEMBL16112808 0.88 KRAS (0.86) KRASTGM2NT5EFUT5HINT1
SCHEMBL16112811 0.88 KRAS (0.86) KRASTGM2NT5EFUT5HINT1
SCHEMBL22268197 0.87 KRAS (0.73) KRASTGM2NT5EFUT5P2RY2
SCHEMBL8202050 0.87 NT5E (0.83) KRASTGM2NT5EIMPDH2FUT5
SCHEMBL17532529 0.87 KRAS (0.72) KRASTGM2NT5EIMPDH2

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 6 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
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 KRAS 1/4885TGM2 3081/4885NT5E 2879/4885
US-10723753-B2 Ras inhibitors and uses thereof KRAS, NRAS, RASGRP1 KRAS 1/4885TGM2 3081/4885NT5E 2879/4885

“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.