SCHEMBL14710299

SCHEMBL14710299

O=C(Nc1snnc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.44
LPAR3 Q9UBY5 1/20 0.44
MGLL Q99685 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NR2F2 P24468 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ROCK2 O75116 1/20 0.41
ENPP2 Q13822 1/20 0.41
PKM P14618 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL14710311 0.91 SMN1; SMN2 (0.43) LPAR1LPAR3MGLLMEN1KMT2A
SCHEMBL14711352 0.85 MGLL (0.44) LPAR1LPAR3MGLLSMN1; SMN2ROCK2
SCHEMBL14710498 0.81 MGLL (0.46) LPAR1LPAR3MGLLSMN1; SMN2ALDH1A1
SCHEMBL14711601 0.80 LPAR1 (0.68) LPAR1LPAR3CYP2C9HRH1
SCHEMBL14790546 0.80 LPAR1 (0.68) LPAR1LPAR3CYP2C9HRH1
SCHEMBL14793831 0.80 LPAR1 (0.44) LPAR1LPAR3MGLLSMN1; SMN2ROCK2
SCHEMBL14710618 0.79 MGLL (0.44) LPAR1LPAR3MGLLROCK2ENPP2
SCHEMBL14712091 0.78 MGLL (0.43) LPAR1LPAR3MGLLSMN1; SMN2ALDH1A1
SCHEMBL14712183 0.77 LPAR1 (0.47) LPAR1MGLLSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL14710432 0.77 FABP4 (0.44) LPAR1LPAR3MGLLSMN1; SMN2ALDH1A1

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-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
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
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 LPAR1 1/4885LPAR3 5/4885MGLL 102/4885

“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.