SCHEMBL17600437

SCHEMBL17600437

CC(C)(C)OC[C@H](NC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.54
SORT1 Q99523 1/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PYGL P06737 1/20 0.49
CYP2C9 P11712 1/20 0.49
PPARA Q07869 1/20 0.49
CNR2 P34972 7/20 0.49
ACE P12821 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
POLB P06746 2/20 0.48
VCAM1 P19320 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL17600438 1.00 GRN (0.54) GRNSORT1MEN1KMT2APYGL
SCHEMBL27896404 0.89 MEN1 (0.48) MEN1KMT2ACNR2CTSLCTSB
SCHEMBL9831124 0.84 CNR2 (0.55) MEN1KMT2ACNR2CTSLCTSB
SCHEMBL9831119 0.84 CNR2 (0.55) MEN1KMT2ACNR2CTSLCTSB
SCHEMBL1409909 0.81 CTSK (0.61) PPARACTSLCTSBCTSSITGB3
SCHEMBL1410812 0.81 CTSK (0.61) PPARACTSLCTSBCTSSITGB3
SCHEMBL607263 0.81 CTSK (0.61) PPARACTSLCTSBCTSSITGB3
SCHEMBL18127055 0.79 GRN (0.68) GRNSORT1PYGLCYP2C9PPARA
SCHEMBL28045720 0.79 FOLH1 (0.63) PPARACNR2CTSLCTSBCTSS
SCHEMBL28045721 0.79 FOLH1 (0.63) PPARACNR2CTSLCTSBCTSS

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
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

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 GRN 104/4885SORT1 3522/4885MEN1 1148/4885
US-10329324-B2 Indoline compounds as granzyme B inhibitors GZMB, PRF1, CTSB GRN 104/4885SORT1 3522/4885MEN1 1148/4885
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB GRN 104/4885SORT1 3522/4885MEN1 1148/4885

“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.