Sugi Predict

Sugi Predict / Compounds / SCHEMBL2837640

SCHEMBL2837640

SCHEMBL2837640

Cc1cc(-c2onc(C)c2[C@@H](Cc2ccccc2F)NC(=O)O)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ SLC26A6 Q9BXS9 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ SCD O00767 1/20 0.32

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
SCHEMBL2836559 0.88 ALDH1A1 (0.39) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL16496719 0.85 TSHR (0.38) MAPTTP53ALDH1A1TSHRP2RX7
SCHEMBL2836944 0.85 KMT2A (0.38) MAPTMEN1KMT2ATP53LMNA
SCHEMBL16496544 0.84 SLC26A6 (0.35) MAPTTP53P2RX7SLC26A6BRD4
SCHEMBL16496187 0.83 LPAR1 (0.36) MAPTMEN1KMT2AALDH1A1P2RX7
SCHEMBL2837769 0.82 P2RX7 (0.37) MAPTKMT2ANPC1RAB9ATP53
SCHEMBL16496520 0.82 TRPA1 (0.46) MAPTTP53BRD4SCD
SCHEMBL2762863 0.80 ALDH1A1 (0.40) MAPTNPC1RAB9ATP53LMNA
SCHEMBL16496194 0.80 ABL1 (0.35) P2RX7SLC26A6SCDSCD5
SCHEMBL2839192 0.80 LPAR1 (0.40) MAPTKMT2AALDH1A1P2RX7SLC26A6

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 7 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-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 — — WO 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 MAPT 4253/4885MEN1 2756/4885KMT2A 2228/4885
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 MAPT 4253/4885MEN1 2756/4885KMT2A 2228/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 MAPT 4253/4885MEN1 2756/4885KMT2A 2228/4885

“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.