SCHEMBL21884554

SCHEMBL21884554

COc1ccc(F)cc1-c1c(Cl)ccc(O)c1C(=O)NC(=N)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.36
CCNT1 O60563 3/20 0.34
CDK9 P50750 3/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
PNLIP P16233 1/20 0.33
CTSA P10619 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PIN1 Q13526 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
KCNMA1 Q12791 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21884553 0.85 STK10 (0.38) CCNT1CDK9CTSASMN1; SMN2ALDH1A1
SCHEMBL21884444 0.83 PYGL (0.40) PYGLPNLIPCTSASMN1; SMN2NPC1
SCHEMBL23875018 0.81 CCNT1 (0.35) CCNT1CDK9NR3C1PGR
SCHEMBL21884375 0.74 ALDH1A1 (0.40) CCNT1CDK9PGRALDH1A1HDAC6
SCHEMBL21884633 0.73 CCNT1 (0.39) CCNT1CDK9NR3C1PGR
SCHEMBL23854863 0.72 CCNT1 (0.41) CCNT1CDK9ALDH1A1HDAC6
SCHEMBL23874997 0.72 TRPA1 (0.38) HSP90AA1HSP90AB1HSD17B1HSD17B2
SCHEMBL23875016 0.71 CCNT1 (0.35) CCNT1CDK9NR3C1PGRSMN1; SMN2
SCHEMBL21885735 0.70 WDR5 (0.44) PNLIPSMN1; SMN2MEN1ALDH1A1GLA
SCHEMBL21885734 0.69 CCNT1 (0.42) CCNT1CDK9PGRALDH1A1HDAC6

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-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 PYGL 274/4885CCNT1 4085/4885CDK9 4006/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PYGL 2138/4885CCNT1 4017/4885CDK9 2832/4885

“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.