SCHEMBL21884553

SCHEMBL21884553

COc1ccc(F)cc1-c1c(Cl)ccc(OCc2ccccc2)c1C(=O)NC(=N)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK10 O94804 1/20 0.38
SLK Q9H2G2 1/20 0.38
SMPD1 P17405 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTGER1 P34995 5/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP2C9 P11712 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CTSA P10619 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL23875016 0.85 CCNT1 (0.35) STK10SLKSMPD1HDAC1HDAC8
SCHEMBL21884554 0.85 PYGL (0.36) HDAC6ALDH1A1SMN1; SMN2CTSACCNT1
SCHEMBL21884552 0.81 FFAR1 (0.48) STK10SLKSMPD1HDAC1HDAC8
SCHEMBL23874999 0.77 PTGER1 (0.41) PTGER1ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL23874970 0.74 PTPN1 (0.40) ALDH1A1SMN1; SMN2FFAR1FFAR4KDM4E
SCHEMBL23875007 0.74 FFAR4 (0.41) STK10SLKSMPD1HDAC1HDAC8
SCHEMBL23875088 0.74 PTPN1 (0.43) CTSL
SCHEMBL23875005 0.72 STK10 (0.41) STK10SLKSMPD1HDAC1HDAC8
SCHEMBL23875040 0.72 CCNT1 (0.41) SMPD1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL21884805 0.71 STK10 (0.46) STK10SLKALDH1A1HPGDLMNA

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 STK10 3618/4885SLK 4519/4885SMPD1 574/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 STK10 2265/4885SLK 3760/4885SMPD1 912/4885

“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.