Sugi Predict

Sugi Predict / Compounds / SCHEMBL5752330

SCHEMBL5752330

SCHEMBL5752330

CCC(=O)C(=Cc1cc(Cl)cc(Cl)c1)C(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.41
▸ TPMT P51580 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ AHR P35869 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL5753202 0.93 KDM4E (0.41) PTGS1TPMTMEN1KMT2AKDM4E
SCHEMBL5750700 0.93 KDM4E (0.41) PTGS1TPMTMEN1KMT2AKDM4E
SCHEMBL5750703 0.93 KDM4E (0.41) PTGS1TPMTMEN1KMT2AKDM4E
SCHEMBL5754092 0.87 PTGS1 (0.34) PTGS1AHRMAPTALDH1A1
SCHEMBL5754095 0.87 PTGS1 (0.34) PTGS1AHRMAPTALDH1A1
SCHEMBL5750483 0.79 KDM4E (0.50) PTGS1TPMTKDM4EAHRCA1
SCHEMBL7077593 0.77 TP53 (0.45) TPMTAHRTSHRCYP1A2CYP2C9
SCHEMBL8038631 0.76 ALDH1A1 (0.47) ALDH1A1
SCHEMBL11462566 0.72 KMT2A (0.57) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8038875 0.71 MEN1 (0.63) MEN1KMT2ATSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141585-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 — — US disclosed
EP-1299361-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2006-07-19 — — EP disclosed
US-20040209862-A1 Pyrazole derivatives PFIZER, INC. 2004-10-21 — — US disclosed
US-6750230-B2 use treating Human Immunodeficiency Virus (HIV) , or genetically related retroviral, infection or a resulting acquired immunodeficiency syndrome (AIDS); 2-[4-(3,5-dichlorobenzyl)-3,5-diethyl-1H-pyrazol-1-yl]ethanol for example; reverse transcriptase inhibitors PFIZER, INC. 2004-06-15 — — US disclosed
EP-1299361-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2003-04-09 — — EP disclosed
WO-2002004424-A9 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2002-12-12 — — WO disclosed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 — — US disclosed
WO-2002004424-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2002-01-17 — — 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 (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-20020032184-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 PTGS1 785/4885TPMT 2/4885MEN1 4199/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 PTGS1 785/4885TPMT 2/4885MEN1 4199/4885

“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.