SCHEMBL14958365

SCHEMBL14958365

Cc1ccc(C(O)(CF)CF)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 7/20 0.33
▸ RAB9A P51151 7/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HPGD P15428 5/20 0.33
▸ GAA P10253 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 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
SCHEMBL14956722 0.85 SMN1; SMN2 (0.40) PTPN1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL14958061 0.83 MAPT (0.38) PTPN1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL14958302 0.76 PTPN1 (0.39) PTPN1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL30623436 0.76 PTPN1 (0.39) PTPN1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL1042555 0.74 NOTUM (0.49) PTPN1SMN1; SMN2NOTUMMAPTALDH1A1
SCHEMBL29616577 0.74 NOTUM (0.49) PTPN1SMN1; SMN2NOTUMMAPTALDH1A1
SCHEMBL4062935 0.73 NPC1 (0.40) PTPN1SMN1; SMN2MAPTALDH1A1NPC1
Ethylene Glycol SCHEMBL11167468 0.73 NPC1 (0.39) PTPN1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL4544654 0.71 ALDH1A1 (0.39) PTPN1SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL21994498 0.71 PTPN1 (0.41) PTPN1SMN1; SMN2NOTUMMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782449-B1 ISOXAZOLINE DERIVATIVES USED IN THE CONTROL OF ECTOPARASITES ANACOR PHARMACEUTICALS INC (US) 2016-08-03 — — EP disclosed
EP-2782449-A1 ISOXAZOLINE DERIVATIVES USED IN THE CONTROL OF ECTOPARASITES Anacor Pharmaceuticals, Inc. (US) 2014-10-01 — — EP disclosed
US-8546357-B2 Boron-containing small molecules for controlling ectoparasites ELI LILLY AND COMPANY (US) 2013-10-01 — — US disclosed
WO-2013078071-A1 ISOXAZOLINE DERIVATIVES USED IN THE CONTROL OF ECTOPARASITES ELI LILLY AND COMPANY (US) 2013-05-30 — — WO disclosed
US-20130131017-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-05-23 — — 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 (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-20130131017-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, RB1 PTPN1 1397/4885SMN1; SMN2 1546/4885NOTUM 4694/4885

“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.

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