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SCHEMBL4560

SCHEMBL4560

Cc1noc(-c2ccc(Br)cc2)c1C(C#C[Si](C)(C)C)NS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 7/20 0.37
▸ EDNRA P25101 7/20 0.37
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TP53 P04637 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ TSHR P16473 1/20 0.31

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
SCHEMBL4107 0.89 EDNRB (0.36) EDNRBEDNRATDP1CYP1A2CYP3A4
SCHEMBL7205 0.73 BRD4 (0.40) EDNRBEDNRATDP1TP53POLB
SCHEMBL7475 0.71 PTPN1 (0.40) CYP2C9ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11386 0.71 HDAC3 (0.39) EDNRBEDNRATDP1CYP1A2CYP3A4
SCHEMBL9933 0.70 TYR (0.34) ALDH1A1NPC1RAB9ATP53MEN1
SCHEMBL18597743 0.70 ALDH1A1 (0.38) EDNRBEDNRATDP1CYP1A2CYP3A4
SCHEMBL7206 0.70 POLB (0.37) EDNRBEDNRATDP1CYP1A2CYP3A4
SCHEMBL4477 0.70 MEN1 (0.33) EDNRBEDNRATDP1CYP1A2CYP3A4
SCHEMBL14785 0.70 MEN1 (0.33) EDNRBEDNRATDP1CYP1A2CYP3A4
SCHEMBL1448 0.70 BRD4 (0.35) EDNRBEDNRATDP1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 — — EP disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 — — US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 — — US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 — — US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 — — US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 — — EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 — — WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 — — 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 EDNRB 286/4885EDNRA 176/4885TDP1 3951/4885

“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.