SCHEMBL21884418

SCHEMBL21884418

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1-c1ccc(Cl)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 10/20 0.37
TMPRSS4 Q9NRS4 3/20 0.37
S1PR1 P21453 4/20 0.36
P2RX1 P51575 4/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
ADRA1D P25100 1/20 0.34
P2RX4 Q99571 2/20 0.34
P2RX7 Q99572 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
PPIA P62937 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
SCHEMBL21884641 0.93 TMPRSS4 (0.40) S1PR3TMPRSS4S1PR1P2RX1TAS1R3
SCHEMBL21884530 0.87 TMPRSS4 (0.40) S1PR3TMPRSS4P2RX1ADRA1DP2RX4
SCHEMBL21884417 0.85 PPIA (0.35) P2RX1TAS1R3TAS1R1TAS1R2PPIA
SCHEMBL23854851 0.85 PPIA (0.36) S1PR3P2RX1TAS1R3TAS1R1TAS1R2
SCHEMBL21884788 0.84 PPIA (0.40) CNR2PPIA
SCHEMBL21884443 0.83 PPIA (0.38) S1PR3P2RX1CNR2PPIA
SCHEMBL21884534 0.83 PPIA (0.35) S1PR3S1PR1CNR2S1PR4PPIA
SCHEMBL21885702 0.83 PPIA (0.35) S1PR3TMPRSS4P2RX1TAS1R3TAS1R1
SCHEMBL21884581 0.82 KCNMA1 (0.42) S1PR3TMPRSS4S1PR1
SCHEMBL21884447 0.82 CNR2 (0.35) S1PR3TMPRSS4P2RX1ADRA1DP2RX4

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 4 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
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 S1PR3 1595/4885TMPRSS4 1380/4885S1PR1 1587/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 S1PR3 3963/4885TMPRSS4 3136/4885S1PR1 3943/4885

“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.