SCHEMBL17600445

SCHEMBL17600445

CC(C)(C)OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2C[C@H]1C(=O)NCc1nn[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XIAP P98170 3/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
CXCR3 P49682 4/20 0.38
GZMB P10144 2/20 0.37

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
SCHEMBL17600514 1.00 XIAP (0.41) XIAPKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL17600448 1.00 XIAP (0.41) XIAPKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL16115383 1.00 XIAP (0.41) XIAPKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL16115934 0.94 XIAP (0.43) XIAPKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL16115936 0.94 XIAP (0.43) XIAPKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL17600357 0.92 XIAP (0.40) XIAPKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL17600510 0.92 XIAP (0.40) XIAPKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL17600355 0.92 XIAP (0.40) XIAPKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL17600359 0.92 XIAP (0.40) XIAPKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL17600401 0.92 CXCR3 (0.41) XIAPKDM4EALDH1A1CYP1A2CYP3A4

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 XIAP 107/4885KDM4E 3437/4885ALDH1A1 4826/4885
US-10329324-B2 Indoline compounds as granzyme B inhibitors GZMB, PRF1, CTSB XIAP 107/4885KDM4E 3437/4885ALDH1A1 4826/4885
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB XIAP 107/4885KDM4E 3437/4885ALDH1A1 4826/4885

“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.