SCHEMBL21884645

SCHEMBL21884645

N=C(N)NC(=O)c1cc(OC(F)(F)F)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.47
PLAU P00749 2/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PLAT P00750 1/20 0.45
TMPRSS4 Q9NRS4 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.41
EPHX2 P34913 1/20 0.40
KCNK2 O95069 1/20 0.39
KCNK10 P57789 1/20 0.39
CHEK1 O14757 1/20 0.39
WDR5 P61964 1/20 0.39
PIM1 P11309 1/20 0.39
ABL1 P00519 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
GCGR P47871 1/20 0.37

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
SCHEMBL9372777 0.82 P2RX1 (0.47) P2RX1TMPRSS4KDM4EGAAKMT2A
SCHEMBL21884658 0.79 TMPRSS4 (0.50) P2RX1TMPRSS4KDM4EKMT2A
SCHEMBL29858917 0.79 P2RX1 (0.51) P2RX1TMPRSS4KDM4EGAAKMT2A
Hydrochloric Acid SCHEMBL8503892 0.78 TRPV1 (0.52) EPHX2TRPV1F9TLR7
SCHEMBL21884644 0.77 PPIA (0.50) P2RX1PLAUF2F10PLAT
SCHEMBL4634307 0.77 CA12 (0.59) P2RX1TMPRSS4KDM4EGAAKMT2A
SCHEMBL23116724 0.77 P2RX1 (0.44) P2RX1TMPRSS4KDM4EGAAKMT2A
SCHEMBL5158868 0.77 AKR1C2 (0.52) P2RX1TDP1KDM4EKMT2AIGF2BP2
SCHEMBL5158858 0.77 P2RX1 (0.48) P2RX1TMPRSS4KDM4EGAAKMT2A
SCHEMBL1505143 0.77 AKR1C2 (0.52) P2RX1TDP1KDM4EKMT2AIGF2BP2

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 5 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-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 P2RX1 3206/4885PLAU 986/4885F2 4663/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 P2RX1 4811/4885PLAU 3975/4885F2 4520/4885

“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.