Sugi Predict

Sugi Predict / Compounds / SCHEMBL2836944

SCHEMBL2836944

SCHEMBL2836944

Cc1noc(-c2ccc(Br)c(F)c2)c1[C@@H](Cc1ccccc1Cl)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ P2RX7 Q99572 2/20 0.36
▸ FTO Q9C0B1 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ LPAR1 Q92633 1/20 0.34
▸ LPAR2 Q9HBW0 1/20 0.34
▸ LPAR3 Q9UBY5 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2837769 0.92 P2RX7 (0.37) KMT2AP2RX7FTOSMN1; SMN2TSHR
SCHEMBL2839111 0.89 LPAR1 (0.41) KMT2AP2RX7L3MBTL1SMN1; SMN2TSHR
SCHEMBL2762347 0.89 LPAR1 (0.41) KMT2AP2RX7L3MBTL1SMN1; SMN2TSHR
SCHEMBL2837640 0.85 MAPT (0.35) KMT2AP2RX7TSHRALDH1A1LMNA
SCHEMBL16496502 0.84 ALOX5 (0.40) KMT2AP2RX7SMN1; SMN2TSHRLPAR1
SCHEMBL2836559 0.83 ALDH1A1 (0.39) P2RX7L3MBTL1SMN1; SMN2LPAR1LPAR2
SCHEMBL16060874 0.82 LPAR1 (0.42) KMT2AP2RX7SMN1; SMN2TSHRLPAR1
SCHEMBL2838361 0.80 P2RX7 (0.37) KMT2AP2RX7SMN1; SMN2LPAR1LPAR2
SCHEMBL2762863 0.79 ALDH1A1 (0.40) P2RX7L3MBTL1SMN1; SMN2LPAR1LPAR2
SCHEMBL2834340 0.78 LPAR1 (0.41) KMT2AP2RX7SMN1; SMN2TSHRLPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-B1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2014-03-12 — — EP disclosed
US-8440707-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2013-05-14 — — US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 — — US disclosed
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 — — US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 — — WO disclosed
US-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 — — 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 (3 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-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 KMT2A 2228/4885P2RX7 221/4885FTO 4869/4885
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 KMT2A 2228/4885P2RX7 221/4885FTO 4869/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 KMT2A 2228/4885P2RX7 221/4885FTO 4869/4885

“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.