SCHEMBL20024820

SCHEMBL20024820

CC(CS)c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
PNMT P11086 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 2/20 0.38
NFKB1 P19838 2/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
CYP2A6 P11509 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TSHR P16473 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32
FPR2 P25090 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL14306818 0.79 TSHR (0.40) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL8233153 0.77 TAAR1 (0.46) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL8431393 0.77 CYP1A2 (0.38) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL19588486 0.77 PNMT (0.38) PNMTCYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL3915756 0.76 TAAR1 (0.45) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL18782487 0.76 SLC6A2 (0.37) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL11403685 0.73 CYP1A2 (0.41) IDO1PNMTCYP1A2CYP3A4CYP2D6
SCHEMBL17755386 0.72 IDH1 (0.37) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL15786471 0.72 MEN1 (0.39) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL6303923 0.72 TSHR (0.35) IDO1PNMTCYP1A2CYP3A4CYP2D6

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-10604520-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-03-31 US disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 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-10604520-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL IDO1 2209/4885PNMT 3064/4885CYP1A2 3869/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL IDO1 2209/4885PNMT 3064/4885CYP1A2 3869/4885

“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.