SCHEMBL16699810

SCHEMBL16699810

Cn1nnc(-c2ccc(Br)cc2)c1[C@@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.47
LPAR3 Q9UBY5 2/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
CYP19A1 P11511 1/20 0.39
HDAC8 Q9BY41 5/20 0.39
MMP2 P08253 2/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
FPR2 P25090 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TP53 P04637 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL16700029 0.86 PTGER4 (0.42) LPAR1LPAR3
SCHEMBL16697498 0.77 SLC5A1 (0.42) KMT2ANPC1RAB9AMEN1CYP19A1
SCHEMBL16697264 0.74 SLC5A1 (0.41) LPAR1KMT2ANPC1RAB9AMEN1
SCHEMBL16697897 0.72 HTT (0.41) KMT2ANPC1RAB9AMEN1FPR2
SCHEMBL16697947 0.70 CYP26A1 (0.42) KMT2AMEN1CYP19A1TP53
SCHEMBL2836880 0.70 RAB9A (0.42) LPAR1LPAR3KMT2ANPC1RAB9A
SCHEMBL2761302 0.70 RAB9A (0.42) LPAR1LPAR3KMT2ANPC1RAB9A
SCHEMBL15882400 0.69 LPAR1 (0.48) LPAR1LPAR3NPC1RAB9ATP53
SCHEMBL16697230 0.69 FPR2 (0.40) KMT2ANPC1RAB9AMEN1HDAC8
SCHEMBL2761328 0.69 RAB9A (0.41) KMT2ANPC1RAB9AMEN1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321738-B2 N-alkyltriazole compounds as LPAR antagonists HOFFMAN-LA ROCHE INC. (US) 2016-04-26 US claimed
US-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-14 US claimed
US-9321738-B2 N-alkyltriazole compounds as LPAR antagonists HOFFMAN-LA ROCHE INC. (US) 2016-04-26 US disclosed
US-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-05-14 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 (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-20150133511-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885KMT2A 1396/4885

“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.