SCHEMBL29626593

SCHEMBL29626593

CC(C)(C)OC(=O)Nc1cccc(C(C)(O)C(F)(F)C(=O)NN)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 4/20 0.47
SYK P43405 1/20 0.44
GAA P10253 4/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
IDO1 P14902 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AURKB Q96GD4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
CYP17A1 P05093 1/20 0.40

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
SCHEMBL31091996 1.00 RXFP1 (0.52) RXFP1ALDH1A1SYKGAACYP3A4
SCHEMBL21200585 0.85 ALDH1A1 (0.51) ALDH1A1GAACYP3A4CYP2C19CYP2C9
SCHEMBL24660945 0.82 ALDH1A1 (0.54) RXFP1ALDH1A1SYKGAACYP3A4
SCHEMBL29640127 0.82 ALDH1A1 (0.54) RXFP1ALDH1A1SYKGAACYP3A4
SCHEMBL21199933 0.81 RXFP1 (0.50) RXFP1ALDH1A1SYKGAACYP3A4
SCHEMBL29640118 0.81 RXFP1 (0.50) RXFP1ALDH1A1SYKGAACYP3A4
SCHEMBL30042580 0.81 RXFP1 (0.73) RXFP1ALDH1A1GAACYP3A4CYP2C19
SCHEMBL1013325 0.81 RXFP1 (0.73) RXFP1ALDH1A1GAACYP3A4CYP2C19
SCHEMBL31476379 0.78 RXFP1 (0.57) RXFP1SYKGAAL3MBTL1HDAC3
SCHEMBL3650686 0.78 RXFP1 (0.57) RXFP1SYKL3MBTL1LMNAHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. 2022-12-08 US disclosed
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. 2022-10-13 US disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 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 (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-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION CBLB, CBL, CBLC RXFP1 4481/4885ALDH1A1 4274/4885SYK 718/4885
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF CBLB, CBL, CBLC RXFP1 4601/4885ALDH1A1 4576/4885SYK 301/4885

“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.