SCHEMBL4977841

SCHEMBL4977841

COc1ccc(OS(=O)(=O)C(F)(F)F)c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.45
AGTR1 P30556 1/20 0.45
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
SLC40A1 Q9NP59 3/20 0.44
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE4B Q07343 1/20 0.41
HTT P42858 1/20 0.40
SLC16A3 O15427 2/20 0.40
POLB P06746 1/20 0.39
NSD2 O96028 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL737308 0.84 SLC40A1 (0.48) KMT2AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL27711752 0.83 SLC40A1 (0.47) KMT2AKDM4EALDH1A1MEN1SLC40A1
SCHEMBL739704 0.83 KDM4E (0.53) KMT2AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL8636736 0.81 IDO1 (0.46) ALDH1A1
SCHEMBL27975877 0.80 MAPT (0.43) KMT2AKDM4EALDH1A1MEN1SLC40A1
SCHEMBL12566146 0.80 COMT (0.52) KMT2AKDM4EALDH1A1HPGDMEN1
SCHEMBL12599627 0.79 CKS1B (0.44) PDE4APDE4CPDE4D
SCHEMBL3615001 0.79 MAPT (0.52) KMT2AKDM4EALDH1A1GAAMEN1
SCHEMBL23292188 0.78 PDE4A (0.42) KDM4EALDH1A1SLC40A1PDE4APDE4C
SCHEMBL1506959 0.78 HTR1A (0.53) KMT2AHSD17B10KDM4EALDH1A1HPGD

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
EP-1948615-B1 Pyrazole derivatives useful for the treatment of gynaecological diseases PFIZER LTD (GB) 2011-12-14 EP disclosed
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 US disclosed
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 US disclosed
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 US disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
WO-2007054770-A2 PYRAZOLE DERIVATIVES AND THEIR MEDICAL USE PFIZER LIMITED (GB) 2007-05-18 WO disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 US disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 US disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 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 (2 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-20070105909-A1 Compounds useful in therapy GNRHR, OPRK1, CBR3 KMT2A 1069/4885HSD17B10 1135/4885KDM4E 1423/4885
US-20080085919-A1 1H-Pyrazoles Useful In Therapy CBR3, GNRHR, RXFP3 KMT2A 1666/4885HSD17B10 1823/4885KDM4E 2056/4885

“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.