SCHEMBL3661873

SCHEMBL3661873

CC(C(=O)O)n1cc(Br)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
ELANE P08246 4/20 0.39
PLAU P00749 3/20 0.39
F2 P00734 1/20 0.39
KLKB1 P03952 1/20 0.39
ACHE P22303 5/20 0.38
PDK4 Q16654 1/20 0.38
FPR2 P25090 2/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP5 P45974 1/20 0.33

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
SCHEMBL30697624 1.00 ALDH1A1 (0.40) ALDH1A1ELANEPLAUF2KLKB1
SCHEMBL28987730 0.84 ELANE (0.38) ALDH1A1ELANEPLAUF2KLKB1
SCHEMBL1581745 0.81 ELANE (0.36) ALDH1A1ELANEPLAUF2KLKB1
SCHEMBL12993521 0.81 ELANE (0.36) ALDH1A1ELANEPLAUF2KLKB1
SCHEMBL15601821 0.79 ALDH1A1 (0.44) ALDH1A1ACHEPDK4KDM4EUSP5
SCHEMBL12984811 0.79 ELANE (0.37) ALDH1A1ELANEPLAUF2KLKB1
SCHEMBL25282476 0.78 CCNC (0.37) ALDH1A1ELANEPLAUF2KLKB1
SCHEMBL15592115 0.78 ALDH1A1 (0.40) ALDH1A1ACHEPDK4KDM4EUSP5
SCHEMBL22531282 0.78 ALDH1A1 (0.40) ALDH1A1ACHEPDK4KDM4EUSP5
SCHEMBL22531284 0.78 ALDH1A1 (0.40) ALDH1A1ACHEPDK4KDM4EUSP5

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543857-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2025-04-30 EP disclosed
CN-119546577-A Modulators of G protein-coupled receptor 88 阿卡蒂亚药品公司 2025-02-28 CN disclosed
CN-119403782-A Modulators of G protein-coupled receptor 88 阿卡蒂亚药品公司 2025-02-07 CN disclosed
WO-2024140653-A1 SELECTIVE CDK12/13 INHIBITOR AND APPLICATION THEREOF 南京圣和药业股份有限公司 2024-07-04 WO disclosed
CN-118255746-A Selective CDK12/13 inhibitors and uses thereof 南京圣和药业股份有限公司 2024-06-28 CN disclosed
WO-2023250060-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. (US) 2023-12-28 WO disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
EP-4121030-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF Amathus Therapeutics, Inc. (US) 2023-01-25 EP disclosed
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
CN-102015700-A Antibacterial condensed thiazoles PROLYSIS LTD 2011-04-13 CN disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 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-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK ALDH1A1 1461/4885ELANE 1626/4885PLAU 4822/4885
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, PPM1D ALDH1A1 2592/4885ELANE 4038/4885PLAU 4733/4885

“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.