SCHEMBL7894643

SCHEMBL7894643

CC(C)(C)C(NC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CNR2 P34972 7/20 0.56
POLB P06746 1/20 0.54
CNR1 P21554 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PSMB8 P28062 2/20 0.50
PSMB5 P28074 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL16114842 1.00 MEN1 (0.56) MEN1KMT2ACNR2POLBCNR1
SCHEMBL14943683 0.89 MEN1 (0.55) MEN1KMT2ACNR2POLBCNR1
SCHEMBL16115275 0.87 CNR2 (0.54) MEN1KMT2ACNR2POLBCNR1
SCHEMBL12401203 0.87 MEN1 (0.54) MEN1KMT2ACNR2POLBCNR1
SCHEMBL15219609 0.87 MEN1 (0.54) MEN1KMT2ACNR2POLBCNR1
SCHEMBL12482254 0.86 POLB (0.54) MEN1KMT2ACNR2POLBCNR1
SCHEMBL7478303 0.84 HDAC2 (0.53) MEN1KMT2ACNR2ALDH1A1HPGD
SCHEMBL19656678 0.81 SMN1; SMN2 (0.61) KMT2AALDH1A1HPGDHDAC8HDAC6
SCHEMBL9963921 0.80 CNR2 (0.57) MEN1KMT2ACNR2POLBCNR1
SCHEMBL9963918 0.80 CNR2 (0.57) MEN1KMT2ACNR2POLBCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114634955-B Method for preparing L-tertiary leucine by biological enzyme catalysis and application thereof 金达威生物技术(江苏)有限公司 2023-07-18 CN disclosed
CN-114634955-A Method for preparing L-tert-leucine through biological enzyme catalysis and application thereof 金达威生物技术(江苏)有限公司 2022-06-17 CN disclosed
US-10329324-B2 Indoline compounds as granzyme B inhibitors viDA Therapeutics (CA) 2019-06-25 US disclosed
US-20180057528-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2018-03-01 US disclosed
US-9605021-B2 Indoline compounds as granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2017-03-28 US disclosed
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2016-03-24 US disclosed
CN-102533888-B Continuous enzymatic method for producing L-tert-leucine ZHEJIANG JIUZHOU PHARMACEUTICAL TECHNOLOGY CO LTD 2015-07-15 CN disclosed
WO-2014153666-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS, INC. (CA) 2014-10-02 WO disclosed
WO-2014153667-A1 COSMETIC USES AND METHODS FOR INDOLINE GRANZYME B INHIBITOR COMPOSITIONS VIDA THERAPEUTICS, INC. (CA) 2014-10-02 WO disclosed
CN-102533888-A Continuous enzymatic method for producing L-tert-leucine ZHEJIANG JIUZHOU PHARMACEUTICAL TECHNOLOGY CO LTD 2012-07-04 CN disclosed
US-6180374-B1 ENANTIOMORPHS; BIOTRANSFORMATION USING ENZYME IN PRESENCE OF AN ALCOHOL OF AN AZLACTONE CHIROTECH TECHNOLOGY, INC. (GB) 2001-01-30 US disclosed
EP-0726891-B1 A METHOD FOR PREPARING TERT-LEUCINE AND ANALOGUES THEREOF IN ENANTIOMERIC FORM, AND INTERMEDIATES THEREIN CHIROTECH TECHNOLOGY LTD (GB) 1999-02-03 EP disclosed
EP-0726891-A1 A METHOD FOR PREPARING $i(TERT)-LEUCINE AND ANALOGUES THEREOF IN ENANTIOMERIC FORM, AND INTERMEDIATES THEREIN Chiroscience Limited (GB) 1996-08-21 EP disclosed
WO-1995012573-A1 A METHOD FOR PREPARING TERT-LEUCINE AND ANALOGUES THEREOF IN ENANTIOMERIC FORM, AND INTERMEDIATES THEREIN CHIROSCIENCE LIMITED (GB) 1995-05-11 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 (3 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-20180057528-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB MEN1 1148/4885KMT2A 4299/4885CNR2 4756/4885
US-10329324-B2 Indoline compounds as granzyme B inhibitors GZMB, PRF1, CTSB MEN1 1148/4885KMT2A 4299/4885CNR2 4756/4885
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB MEN1 1148/4885KMT2A 4299/4885CNR2 4756/4885

“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.