SCHEMBL4020107

SCHEMBL4020107

O=C(NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2C2=CCCC=C2)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
PTGS2 P35354 10/20 0.45
PTGS1 P23219 6/20 0.45
ALOX5 P09917 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
NCOR2 Q9Y618 1/20 0.44
PDPK1 O15530 2/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL4020480 0.97 MAPT (0.45) MAPTPTGS2PTGS1ALOX5HDAC3
SCHEMBL4019106 0.95 PDPK1 (0.50) MAPTPTGS2PTGS1ALOX5HDAC3
SCHEMBL4021465 0.93 PTGS2 (0.47) MAPTPTGS2PTGS1HDAC3HDAC4
SCHEMBL4025699 0.91 HDAC3 (0.47) PTGS2PTGS1HDAC3HDAC4HDAC1
SCHEMBL4020484 0.90 PTGS2 (0.48) MAPTPTGS2PTGS1HDAC3HDAC4
SCHEMBL4024660 0.89 HDAC3 (0.43) MAPTPTGS2PTGS1HDAC3HDAC4
SCHEMBL4020566 0.89 PTGS2 (0.49) MAPTPTGS2PTGS1HDAC3HDAC4
SCHEMBL4026686 0.89 PTGS2 (0.41) MAPTPTGS2PTGS1ALOX5HDAC3
SCHEMBL4027245 0.88 HDAC3 (0.39) MAPTPTGS2PTGS1ALOX5HDAC3
SCHEMBL4020138 0.85 HDAC3 (0.46) PTGS2PTGS1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504519-B2 Derivatives of pyrazoline, procedure for obtaining them and use thereof as therapeutic agents LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-03-17 US claimed
JP-2008506680-A 2008-03-06 JP claimed
US-20080021084-A1 Derivatives Of Pyrazoline, Procedure For obtaining Them And Use Thereof As Therapeutic Agents LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-01-24 US claimed
EP-1773782-A1 DERIVATIVES OF PYRAZOLINE, PROCEDURE FOR OBTAINING THEM AND USE THEREOF AS THERAPEUTIC AGENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-04-18 EP claimed
WO-2006011005-A1 DERIVATIVES OF PYRAZOLINE, PROCEDURE FOR OBTAINING THEM AND USE THEREOF AS THERAPEUTIC AGENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-02 WO claimed
US-7504519-B2 Derivatives of pyrazoline, procedure for obtaining them and use thereof as therapeutic agents LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-03-17 US disclosed
US-20080021084-A1 Derivatives Of Pyrazoline, Procedure For obtaining Them And Use Thereof As Therapeutic Agents LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-01-24 US disclosed
EP-1773782-A1 DERIVATIVES OF PYRAZOLINE, PROCEDURE FOR OBTAINING THEM AND USE THEREOF AS THERAPEUTIC AGENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-04-18 EP disclosed
WO-2006011005-A1 DERIVATIVES OF PYRAZOLINE, PROCEDURE FOR OBTAINING THEM AND USE THEREOF AS THERAPEUTIC AGENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-02 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-20080021084-A1 Derivatives Of Pyrazoline, Procedure For obtaining Them And Use Thereof As Therapeutic Agents CYP3A5, HRH2, PTGS1 MAPT 3233/4885PTGS2 44/4885PTGS1 3/4885

“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.