SCHEMBL352322

SCHEMBL352322

N[C@@H](C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.52
KMT2A Q03164 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
MEN1 O00255 4/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
GRM8 O00222 1/20 0.52
GRM6 O15303 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
DRD3 P35462 1/20 0.52
GRM4 Q14833 1/20 0.52
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
GRM1 Q13255 3/20 0.48
GRM2 Q14416 2/20 0.48
LDHA P00338 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL352323 1.00 HSD17B10 (0.52) HSD17B10KMT2ATDP1MEN1CYP2C9
SCHEMBL28901123 1.00 HSD17B10 (0.52) HSD17B10KMT2ATDP1MEN1CYP2C9
Hydrochloric Acid SCHEMBL28294751 0.98 HSD17B10 (0.50) HSD17B10KMT2ATDP1MEN1CYP2C9
SCHEMBL30057643 0.94 HSD17B10 (0.47) HSD17B10KMT2ATDP1MEN1CYP2C9
SCHEMBL13527786 0.88 HSD17B10 (0.61) HSD17B10KMT2ATDP1MEN1CYP2C9
SCHEMBL3306654 0.82 MEN1 (0.49) KMT2AMEN1CYP2C19CYP1A2ALOX5
Oxfenicine SCHEMBL122315 0.79 HSD17B10 (0.55) HSD17B10KMT2ATDP1MEN1CYP2C9
Oxfenicine SCHEMBL652186 0.79 HSD17B10 (0.55) HSD17B10KMT2ATDP1MEN1CYP2C9
SCHEMBL2262988 0.79 HSD17B10 (0.53) HSD17B10KMT2ATDP1MEN1CYP2C9
SCHEMBL5329159 0.79 HSD17B10 (0.53) HSD17B10KMT2ATDP1MEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023099620-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-08 WO disclosed
CN-111718290-B Synthesis method of multi-configuration isoindoline-1-carboxylic acid amino acid compound 苏州爱玛特生物科技有限公司 2022-11-25 CN disclosed
WO-2021067606-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-04-08 WO disclosed
CN-111718290-A Synthesis method of multi-configuration isoindoline-1-carboxylic acid amino acid compound 苏州爱玛特生物科技有限公司 2020-09-29 CN disclosed
WO-2019195201-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
CN-101238127-A Pyrimidine or triazine fused bicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS INC (US) 2008-08-06 CN disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20060293345-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2006-12-28 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 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 (5 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-20060293345-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, MMP10 HSD17B10 458/4885KMT2A 3364/4885TDP1 2102/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 HSD17B10 501/4885KMT2A 3548/4885TDP1 2304/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HSD17B10 501/4885KMT2A 3548/4885TDP1 2304/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HSD17B10 501/4885KMT2A 3548/4885TDP1 2304/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HSD17B10 501/4885KMT2A 3548/4885TDP1 2304/4885

“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.