SCHEMBL3460426

SCHEMBL3460426

O=C1CCC(c2ccccc2)CC1Br

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SLC18A3 Q16572 2/20 0.41
SIGMAR1 Q99720 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
BRD4 O60885 3/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL31318755 0.82 SRD5A1 (0.47) SRD5A1MAPTHPGDLMNA
SCHEMBL13039616 0.81 SRD5A1 (0.47) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL8920951 0.79 SRD5A1 (0.46) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL28243214 0.78 SRD5A1 (0.45) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL22321333 0.78 SRD5A1 (0.45) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL22048164 0.78 SRD5A1 (0.45) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL18585014 0.78 SRD5A1 (0.49) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL504750 0.76 TP53 (0.47) GAALMNA
SCHEMBL6551213 0.75 SRD5A1 (0.46) SRD5A1AKR1C3AKR1C1GAAMAPT
SCHEMBL3536568 0.74 SRD5A1 (0.45) SRD5A1AKR1C3AKR1C1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
EP-1732906-A4 2-AMINOTHIAZOLE COMPOUNDS USEFUL AS ASPARTYL PROTEASE INHIBITORS MERCK & CO INC (US) 2007-11-21 EP disclosed
US-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors MERCK SHARP & DOHME CORP. 2007-08-30 US disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP disclosed
EP-1732906-A1 2-AMINOTHIAZOLE COMPOUNDS USEFUL AS ASPARTYL PROTEASE INHIBITORS Merck & Co., Inc. (US) 2006-12-20 EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO disclosed
WO-2005097767-A1 2-AMINOTHIAZOLE COMPOUNDS USEFUL AS ASPARTYL PROTEASE INHIBITORS MERCK & CO., INC. (US) 2005-10-20 WO disclosed
US-4535081-A Antiallergic and antiulcer 1-oxo-1H-thiazolo[3,2-a]pyrimidine-2-carboxamides and intermediates therefor PFIZER INC. (US) 1985-08-13 US disclosed
US-4423048-A Antiallergic and antiulcer 1-oxo-1H-thiazolo[3,2-a]pyrimidine-2-carboxamides and intermediates therefor PFIZER INC. (US) 1983-12-27 US disclosed
US-4414388-A ANTIALLERGENS, ANTIULCER AGENTS PFIZER INC. (US) 1983-11-08 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-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors BACE2, BACE1, APP SRD5A1 1500/4885AKR1C3 3257/4885AKR1C1 3081/4885
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R SRD5A1 836/4885AKR1C3 321/4885AKR1C1 853/4885

“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.