SCHEMBL21884658

SCHEMBL21884658

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 13/20 0.50
NPC1 O15118 1/20 0.49
CRHBP P24387 1/20 0.49
RAB9A P51151 1/20 0.49
CRHR2 Q13324 1/20 0.49
P2RX1 P51575 11/20 0.48
P2RX4 Q99571 4/20 0.48
P2RX7 Q99572 4/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CES2 O00748 1/20 0.46
SLC2A1 P11166 1/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
MYLK Q15746 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
Hydrochloric Acid SCHEMBL8393436 0.85 CES2 (0.58) TMPRSS4NPC1CRHBPRAB9ACRHR2
Hydrochloric Acid SCHEMBL8393444 0.84 CES2 (0.45) TMPRSS4NPC1CRHBPRAB9ACRHR2
SCHEMBL27497007 0.84 CES2 (0.45) P2RX7CES2KDRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8392414 0.82 JAK2 (0.54) MEN1KMT2ACES2ALDH1A1HPGD
SCHEMBL24066344 0.81 TMPRSS4 (0.48) TMPRSS4P2RX1P2RX4P2RX7MEN1
Hydrochloric Acid SCHEMBL8393384 0.81 NTRK1 (0.47) TMPRSS4NPC1CRHBPRAB9ACRHR2
SCHEMBL8116932 0.80 MAPT (0.47) KDM4E
SCHEMBL21884644 0.80 PPIA (0.50) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL21884645 0.79 P2RX1 (0.47) TMPRSS4P2RX1KMT2AKDM4E
Hydrochloric Acid SCHEMBL8102752 0.79 MAPT (0.46)

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 TMPRSS4 1380/4885NPC1 138/4885CRHBP 642/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 TMPRSS4 3136/4885NPC1 947/4885CRHBP 1505/4885

“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.