Sugi Predict

Sugi Predict / Compounds / SCHEMBL3813014

SCHEMBL3813014

SCHEMBL3813014

Cc1ccc(C(Br)C(=O)c2ccccc2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CACNA2D1 P54289 2/20 0.40
▸ CACNA1B Q00975 2/20 0.40
▸ CACNB1 Q02641 2/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9276808 0.83 HSP90AA1 (0.44) CES2CES1POLBSMN1; SMN2KMT2A
SCHEMBL8150583 0.82 CES2 (0.50) CES2CES1POLBHTTCACNA2D1
SCHEMBL508943 0.81 TDP1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL9277030 0.76 CES2 (0.52) CES2CES1POLBSMN1; SMN2MEN1
SCHEMBL21495114 0.76 CES2 (0.52) CES2CES1POLBSMN1; SMN2MEN1
SCHEMBL29110206 0.76 KMT2A (0.45) POLBHTTCACNA2D1CACNA1BCACNB1
SCHEMBL6834794 0.73 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ATDP1L3MBTL1
SCHEMBL9055063 0.72 CES2 (0.50) CES2CES1POLBHTTSMN1; SMN2
SCHEMBL7543173 0.71 CES2 (0.44) CES2CES1HTTSMN1; SMN2MEN1
SCHEMBL963511 0.71 CES2 (0.47) CES2CES1HTTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 — — EP disclosed
US-7067537-B2 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-27 — — US disclosed
US-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 — — US disclosed
EP-1348706-A1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-01 — — EP 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 CES2 840/4885CES1 67/4885POLB 2325/4885

“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.