SCHEMBL13733019

SCHEMBL13733019

Cc1onc(-c2cccc(C(F)(F)F)c2)c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.64
NPC1 O15118 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
EPAS1 Q99814 2/20 0.51
POLB P06746 2/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 1/20 0.49
IP6K1 Q92551 1/20 0.49
IP6K3 Q96PC2 1/20 0.49
IP6K2 Q9UHH9 1/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
XDH P47989 1/20 0.49
PIN1 Q13526 1/20 0.49
KMO O15229 1/20 0.49
HTT P42858 1/20 0.47
BRD4 O60885 1/20 0.47
ALOX12 P18054 1/20 0.46

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
SCHEMBL11420447 0.86 GPBAR1 (0.61) GPBAR1NPC1MEN1KMT2AGAA
SCHEMBL13734246 0.86 GPBAR1 (0.61) GPBAR1NPC1MEN1KMT2AGAA
SCHEMBL13734158 0.84 BRD4 (0.53) GPBAR1NPC1IP6K1IP6K3IP6K2
SCHEMBL4594713 0.82 GPBAR1 (0.62) GPBAR1MEN1KMT2AGAAPOLB
SCHEMBL4029417 0.82 GPBAR1 (0.53) GPBAR1MEN1KMT2AEPAS1POLB
SCHEMBL4333884 0.82 GPBAR1 (0.60) GPBAR1MEN1KMT2AGAAPOLB
SCHEMBL13732600 0.81 GPBAR1 (0.51) GPBAR1MEN1KMT2AGAAPOLB
SCHEMBL27936782 0.81 GPBAR1 (0.53) GPBAR1NPC1EPAS1POLBMAPT
SCHEMBL316093 0.80 KMT2A (0.76) GPBAR1MEN1KMT2AGAAPOLB
SCHEMBL1931107 0.80 GPBAR1 (0.66) GPBAR1NPC1MEN1KMT2AGAA

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-2699566-B1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM CO LTD (KR) 2017-02-22 EP disclosed
CN-103313982-B Phenyl-isoxazole derivatives and process for the preparation thereof IL-YANG PHARM. CO.,LTD. (KR) 2016-02-03 CN disclosed
US-9132126-B2 Phenyl-isoxazole derivatives and preparation process thereof IL-YANG PHARM. CO., LTD. (KR) 2015-09-15 US disclosed
EP-2699566-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF Il-Yang Pharm. Co., Ltd. (KR) 2014-02-26 EP disclosed
US-20140031364-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM. CO., LTD. (KR) 2014-01-30 US disclosed
CN-103313982-A Phenyl-isoxazole derivatives and process for the preparation thereof IL YANG PHARM CO LTD 2013-09-18 CN disclosed
WO-2012144752-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM. CO., LTD. (KR) 2012-10-26 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-20140031364-A1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF PIR, ALPL, PIGS GPBAR1 4105/4885NPC1 2802/4885MEN1 4678/4885

“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.