SCHEMBL10573142

SCHEMBL10573142

COC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
RAB9A P51151 6/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
PDE4D Q08499 1/20 0.51
NPC1 O15118 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
FPR1 P21462 1/20 0.44

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
SCHEMBL14482170 0.86 MEN1 (0.60) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL10572038 0.85 HPGD (0.67) HPGDMAPTNPSR1NPC1MEN1
SCHEMBL28040015 0.85 HPGD (0.50) HPGDRAB9AMAPTNPSR1NPC1
SCHEMBL10577265 0.85 MEN1 (0.51) RAB9AMAPTNPSR1PDE4DNPC1
SCHEMBL15153224 0.81 RAB9A (0.74) HPGDRAB9AMAPTNPSR1PDE4D
SCHEMBL16500084 0.79 TSHR (0.43) HPGDRAB9AMAPTNPSR1PDE4D
SCHEMBL14553211 0.78 MEN1 (0.75) HPGDRAB9AMAPTNPSR1PDE4D
SCHEMBL15153205 0.78 KMT2A (0.56) HPGDMAPTNPSR1MEN1KMT2A
SCHEMBL12264899 0.77 PDE4D (0.59) HPGDRAB9AMAPTNPSR1PDE4D
SCHEMBL15153248 0.75 MEN1 (0.53) HPGDRAB9AMAPTNPSR1PDE4D

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-2552895-B1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES Westfälische Wilhelms Universität Münster (DE) 2015-02-25 EP disclosed
US-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
US-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 US disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 US disclosed
WO-2011120861-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2011-10-06 WO disclosed
US-4868198-A ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 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-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES PC, ENO1, PDK2 HPGD 241/4885RAB9A 2706/4885MAPT 2522/4885

“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.