SCHEMBL21704293

SCHEMBL21704293

Cc1ccc2c(N)c(C(O)O)sc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.56
LIMK1 P53667 1/20 0.56
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
USP28 Q96RU2 12/20 0.40
USP25 Q9UHP3 9/20 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
SCHEMBL22957291 0.82 IKBKB (0.49) IKBKBLIMK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20731005 0.77 ALDH1A1 (0.62) IKBKBLIMK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20731982 0.77 ALDH1A1 (0.62) IKBKBLIMK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12562427 0.72 LIMK1 (0.77) IKBKBLIMK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16071461 0.72 IKBKB (1.00) IKBKBLIMK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19212039 0.72 LIMK1 (0.77) IKBKBLIMK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29707312 0.72 LIMK1 (0.77) IKBKBLIMK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19465955 0.72 MEN1 (0.63) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL19267554 0.71 ALDH1A1 (0.53) IKBKBLIMK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20732193 0.71 ALDH1A1 (0.55) IKBKBLIMK1ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913753-B2 Thienopyridine carboxamides as ubiquitin-specific protease inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-02-09 US disclosed
WO-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 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 (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-10913753-B2 Thienopyridine carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 IKBKB 410/4885LIMK1 4691/4885ALDH1A1 2323/4885

“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.