SCHEMBL14711178

SCHEMBL14711178

Oc1nc(C(F)(F)F)ccc1C#Cc1ccc(Br)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NT5E P21589 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACACB O00763 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL14790629 0.76 GRM5 (0.35) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL14711299 0.73 SLC6A4 (0.30)
SCHEMBL14658984 0.72 AR (0.41)
SCHEMBL29480826 0.72 AR (0.41)
SCHEMBL18188155 0.71 GRM5 (0.36) KDM4EACACB
SCHEMBL30328991 0.69 TRPV4 (0.34) KDM4ENT5EMEN1LMNAKMT2A
SCHEMBL14790502 0.68 KDM4E (0.40) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL8617788 0.67 KIF11 (0.47) PTPN1PTPN6PTPN11ALDH1A1
SCHEMBL2525250 0.66 GRM5 (0.40) PTPN1PTPN6PTPN11KDM4EMEN1
SCHEMBL18188287 0.66 APP (0.39) PTPN1PTPN11KDM4EMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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 (1 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 PTPN1 1459/4885PTPN6 1507/4885PTPN11 1190/4885

“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.