SCHEMBL14710311

SCHEMBL14710311

COC(=O)C1(c2ccc(-c3ccc(-c4nnsc4NC(=O)OCc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NR2F2 P24468 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
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
ROCK2 O75116 1/20 0.39
MGLL Q99685 2/20 0.39
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LPAR1 Q92633 1/20 0.38

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
SCHEMBL14710299 0.91 LPAR1 (0.44) SMN1; SMN2MEN1KMT2AALDH1A1NR2F2
SCHEMBL14711064 0.86 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14711657 0.82 LPAR1 (0.58) CYP2C9LPAR1LPAR3
SCHEMBL14710711 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14790495 0.79 ROCK2 (0.39) SMN1; SMN2ALDH1A1ROCK2MGLLTSHR
SCHEMBL14712182 0.79 CYP2C9 (0.45) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14710769 0.79 LPAR1 (0.43) SMN1; SMN2ROCK2MGLLLPAR1LPAR3
SCHEMBL14711376 0.79 NPC1 (0.39) SMN1; SMN2ROCK2MGLLNPC1RAB9A
SCHEMBL14711162 0.78 MAP3K5 (0.41) SMN1; SMN2ROCK2MGLLTSHRLPAR1
SCHEMBL14711672 0.78 LPAR1 (0.45) CYP2C9LPAR1LPAR3

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 SMN1; SMN2 3450/4885MEN1 1384/4885KMT2A 2450/4885

“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.