SCHEMBL16639670

SCHEMBL16639670

CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.54
PKM P14618 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
STAT3 P40763 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 4/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL17368422 0.84 L3MBTL1 (0.66) KMT2AMEN1SMN1; SMN2STAT3L3MBTL1
SCHEMBL10749575 0.83 KMT2A (0.49) KMT2AMEN1SMN1; SMN2HPGDRECQL
SCHEMBL17203045 0.83 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2MAPK1STAT3
SCHEMBL24514176 0.83 ADRB2 (0.47) KMT2AMEN1SMN1; SMN2HPGDRECQL
SCHEMBL29145362 0.83 ADRB2 (0.47) KMT2AMEN1SMN1; SMN2HPGDRECQL
SCHEMBL109451 0.82 CA1 (0.61) MAPK1HSD17B10STAT3ALDH1A1TDP1
SCHEMBL23560950 0.82 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2HPGDHSD17B10
SCHEMBL2344970 0.81 CA1 (0.50) KMT2AMEN1HSD17B10STAT3ALDH1A1
SCHEMBL11925396 0.81 SMN1; SMN2 (0.66) KMT2AMEN1SMN1; SMN2HPGDHSD17B10
SCHEMBL18025996 0.81 CA1 (0.50) KMT2AMEN1SMN1; SMN2MAPK1HSD17B10

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
CN-115066417-A Factor XIa inhibitors 上海京新生物医药有限公司 2022-09-16 CN disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 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 (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-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP CA7, DAO, CA4 KMT2A 837/4885MEN1 1260/4885SMN1; SMN2 4617/4885

“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.