SCHEMBL23875015

SCHEMBL23875015

COc1ccc(F)cc1-c1c(C#N)c(C)cc(OCc2ccccc2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.46
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 3/20 0.43
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
RXRA P19793 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER1 P34995 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
STK10 O94804 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
SCHEMBL23875163 0.90 MRGPRX4 (0.41) MRGPRX4FFAR1FFAR4PTPN7PTPN12
SCHEMBL23875016 0.83 CCNT1 (0.35) MRGPRX4FFAR1FFAR4HPGDSMN1; SMN2
SCHEMBL21884552 0.79 FFAR1 (0.48) MRGPRX4FFAR1FFAR4RXRACTSV
SCHEMBL23875040 0.72 CCNT1 (0.41) FFAR1FFAR4HPGDSMN1; SMN2ALDH1A1
SCHEMBL23875056 0.71 MRGPRX4 (0.47) MRGPRX4RXRANPC1HPGDRAB9A
SCHEMBL21884440 0.70 CCNT1 (0.36) ALDH1A1
SCHEMBL21885731 0.69 CCNT1 (0.43) ALDH1A1
SCHEMBL21667956 0.69 FFAR1 (0.58) MRGPRX4FFAR1FFAR4RXRACTSV
SCHEMBL30002764 0.69 FFAR1 (0.66) MRGPRX4FFAR1FFAR4RXRACTSV
SCHEMBL4228617 0.69 FFAR1 (0.66) MRGPRX4FFAR1FFAR4RXRACTSV

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-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

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 MRGPRX4 1684/4885FFAR1 2709/4885FFAR4 3825/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 MRGPRX4 4293/4885FFAR1 4719/4885FFAR4 4834/4885

“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.