SCHEMBL14710709

SCHEMBL14710709

O=C(Nc1ncsc1Br)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MGLL Q99685 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
ROCK2 O75116 1/20 0.43
MAPK1 P28482 1/20 0.43
CA12 O43570 2/20 0.43

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
SCHEMBL14790383 0.76 POLB (0.46) POLBSMN1; SMN2NPC1RAB9AMGLL
SCHEMBL5956259 0.74 CCNE1 (0.67) POLBSMN1; SMN2NPC1RAB9AMGLL
SCHEMBL14710259 0.74 LPAR1 (0.48) CYP2C9
SCHEMBL16609927 0.74 POLB (0.49) POLBSMN1; SMN2NPC1RAB9AMGLL
SCHEMBL747058 0.72 KDM4E (0.60) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL18640773 0.72 POLB (0.65) POLBSMN1; SMN2NPC1RAB9AMGLL
SCHEMBL7090892 0.71 POLB (0.52) POLBSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9158159 0.71 SMN1; SMN2 (0.55) POLBSMN1; SMN2NPC1RAB9AMGLL
SCHEMBL29952615 0.71 POLB (0.56) POLBSMN1; SMN2NPC1RAB9AMGLL
Benzyl Phenylcarbamate SCHEMBL1222943 0.71 POLB (0.78) POLBSMN1; SMN2NPC1RAB9AMGLL

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 POLB 4247/4885SMN1; SMN2 3450/4885NPC1 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.