SCHEMBL343836

SCHEMBL343836

CCOC(=O)c1cnoc1-c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
TARBP2 Q15633 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CACNA1F O60840 1/20 0.45
ABCB1 P08183 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
IDO1 P14902 1/20 0.44
MAPT P10636 6/20 0.44
PPARA Q07869 1/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 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
SCHEMBL5773388 0.89 TARBP2 (0.48) TARBP2MEN1KMT2ANPC1RAB9A
SCHEMBL11384351 0.86 ALDH1A1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5771735 0.86 ALDH1A1 (0.50) TARBP2MEN1KMT2ANPC1RAB9A
SCHEMBL10668171 0.86 SMN1; SMN2 (0.52) TARBP2NPC1RAB9AIDO1MAPT
SCHEMBL6502372 0.86 TSHR (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5776864 0.85 GAA (0.51) HTTTARBP2MEN1KMT2ANPC1
SCHEMBL17468485 0.84 MAPT (0.51) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL5774574 0.84 ALDH1A1 (0.43) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21172100 0.83 CYP11B1 (0.44) HTTMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5777151 0.83 USP2 (0.44) HTTMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
EP-2438048-B1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2013-12-18 EP disclosed
US-8273780-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-8058300-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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 (4 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR HTT 4375/4885TARBP2 4614/4885MEN1 2811/4885
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 HTT 3154/4885TARBP2 4374/4885MEN1 2389/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 HTT 3773/4885TARBP2 4756/4885MEN1 2072/4885
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 HTT 3154/4885TARBP2 4374/4885MEN1 2389/4885

“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.