SCHEMBL15919052

SCHEMBL15919052

CCOC(=O)c1c(-c2cc(F)c(Br)cc2F)nnn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
JMJD6 Q6NYC1 1/20 0.34
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC34A1 Q06495 1/20 0.33
TP53 P04637 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 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
SCHEMBL16700525 0.85 ALOX5 (0.45) TSHRALDH1A1SMN1; SMN2PTGESALOX5
SCHEMBL15912456 0.74 CYP1A2 (0.34)
SCHEMBL14711408 0.74 HTT (0.49) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL15919053 0.73 PDE10A (0.37) SMN1; SMN2KMT2APKMMAPTKDM4E
SCHEMBL15897845 0.72 NPC1 (0.43) TSHRALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL15897330 0.72 SLC5A1 (0.40) TSHRALDH1A1KMT2AJMJD6PKM
SCHEMBL20027814 0.70 SMN1; SMN2 (0.55) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28906200 0.70 ALPL (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL16701090 0.70 ALOX5 (0.45) TSHRALDH1A1POLBTP53PTGES
SCHEMBL15882251 0.69 EGFR (0.50) ALDH1A1SMN1; SMN2KMT2AGAAMAPT

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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 TSHR 449/4885ALDH1A1 4135/4885NPC1 383/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 TSHR 449/4885ALDH1A1 4135/4885NPC1 383/4885

“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.