SCHEMBL7204970

SCHEMBL7204970

O=C(CC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
CTNNB1 P35222 2/20 0.53
GAA P10253 2/20 0.53
CRHBP P24387 1/20 0.53
HTT P42858 1/20 0.53
CRHR2 Q13324 1/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
WNT3A P56704 1/20 0.52
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 3/20 0.51
GSK3B P49841 2/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL15988672 0.88 MEN1 (0.66) PTPN1MEN1KMT2AMAPTLMNA
SCHEMBL7199130 0.86 ALDH1A1 (0.60) MEN1KMT2AMAPTLMNACTNNB1
SCHEMBL7206410 0.84 CTNNB1 (0.56) MEN1KMT2AMAPTLMNACTNNB1
SCHEMBL10464224 0.84 MAPT (0.51) MEN1KMT2AMAPTLMNACTNNB1
SCHEMBL7204540 0.83 POLB (0.50) MEN1KMT2AMAPTLMNACTNNB1
SCHEMBL29987081 0.83 PTPN1 (0.75) PTPN1MAPTRAB9AALDH1A1GSK3B
SCHEMBL28816497 0.83 CTNNB1 (0.55) MEN1KMT2AMAPTLMNACTNNB1
SCHEMBL7199098 0.82 KCNA5 (0.54) MEN1KMT2AMAPTLMNACTNNB1
SCHEMBL7200952 0.82 MEN1 (0.58) MEN1KMT2AMAPTLMNACTNNB1
SCHEMBL1436183 0.82 ERCC5 (0.66) MEN1KMT2AMAPTLMNACTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2644606-A1 RARE EARTH METAL COMPLEX Hitachi Chemical Co., Ltd. (JP) 2013-10-02 EP disclosed
US-20130231468-A1 RARE EARTH METAL COMPLEX HITACHI CHEMICAL COMPANY, LTD. (JP) 2013-09-05 US disclosed
US-20130231468-A1 RARE EARTH METAL COMPLEX HITACHI CHEMICAL COMPANY, LTD. (JP) 2013-09-05 US disclosed
US-20130231468-A1 RARE EARTH METAL COMPLEX HITACHI CHEMICAL COMPANY, LTD. (JP) 2013-09-05 US disclosed
CN-103228641-A Rare earth metal complex HITACHI CHEMICAL CO LTD 2013-07-31 CN disclosed
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 US disclosed
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 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-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 PTPN1 2765/4885MEN1 4820/4885KMT2A 3922/4885

“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.