SCHEMBL9899529

SCHEMBL9899529

C[C@@H](NC(=O)O)c1cccc(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 2/20 0.51
F7 P08709 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
F2 P00734 1/20 0.47
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL17923292 1.00 ALDH1A1 (0.63) ALDH1A1L3MBTL1POLBLMNAF7
SCHEMBL2766240 1.00 ALDH1A1 (0.63) ALDH1A1L3MBTL1POLBLMNAF7
SCHEMBL2769652 0.86 ALDH1A1 (0.59) ALDH1A1L3MBTL1POLBLMNAF7
SCHEMBL3881452 0.86 ALDH1A1 (0.59) ALDH1A1L3MBTL1POLBLMNAF7
SCHEMBL12341890 0.86 ALDH1A1 (0.59) ALDH1A1L3MBTL1POLBLMNAF7
SCHEMBL3893098 0.86 ALDH1A1 (0.59) ALDH1A1L3MBTL1POLBLMNAF7
SCHEMBL28235670 0.85 ALDH1A1 (0.57) ALDH1A1L3MBTL1POLBLMNAF7
SCHEMBL8321365 0.84 ALDH1A1 (0.83) ALDH1A1L3MBTL1POLBLMNAF7
SCHEMBL6227427 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1POLBLMNAF7
SCHEMBL28882020 0.82 HSD17B10 (0.72) ALDH1A1L3MBTL1POLBLMNAF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2024-03-28 US disclosed
EP-3699179-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-08-26 EP disclosed
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 US disclosed
EP-2649076-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2013-10-16 EP disclosed
WO-2012078915-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-14 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-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 ALDH1A1 1717/4885L3MBTL1 3754/4885POLB 3697/4885
US-20240101555-A1 UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, UTS2R ALDH1A1 2124/4885L3MBTL1 4652/4885POLB 4539/4885

“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.