SCHEMBL2824161

SCHEMBL2824161

CCOC(=O)[C@@H]1Cc2ccccc2N1C(C)=O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
TP53 P04637 2/20 0.48
NR1D1 P20393 1/20 0.48
KDM4E B2RXH2 2/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL2824164 1.00 NOTUM (0.56) NOTUMTP53NR1D1KDM4EDRD2
SCHEMBL10742367 0.89 DRD2 (0.49) NOTUMTP53NR1D1KDM4EDRD2
SCHEMBL10743464 0.89 DRD2 (0.49) NOTUMTP53NR1D1KDM4EDRD2
SCHEMBL10908637 0.87 KDM4E (0.46) NOTUMTP53NR1D1KDM4EDRD2
Hydrochloric Acid SCHEMBL1760588 0.85 NOTUM (0.52) NOTUMTP53KDM4EALDH1A1
SCHEMBL24894627 0.84 NR1D1 (0.45) TP53NR1D1KDM4EDRD2DRD4
SCHEMBL10923186 0.84 PSMB5 (0.49) TP53NR1D1KDM4EDRD2DRD4
SCHEMBL29827833 0.84 NR1D1 (0.45) TP53NR1D1KDM4EDRD2DRD4
SCHEMBL2827516 0.84 NOTUM (0.60) NOTUMTP53DRD2DRD4ALDH1A1
SCHEMBL29859758 0.84 NOTUM (0.60) NOTUMTP53DRD2DRD4ALDH1A1

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 9 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-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-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
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2016-03-24 US disclosed
US-20100330625-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE INDOLINE-2-CARBOXYLIC ACID OR DERIVATIVE THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-12-30 US disclosed
EP-2251431-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE INDOLINE-2-CARBOXYLIC ACID OR DERIVATIVE THEREOF Mitsubishi Gas Chemical Company, Inc. (JP) 2010-11-17 EP 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 NOTUM 3576/4885TP53 36/4885NR1D1 4843/4885
US-10329324-B2 Indoline compounds as granzyme B inhibitors GZMB, PRF1, CTSB NOTUM 3576/4885TP53 36/4885NR1D1 4843/4885
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB NOTUM 3576/4885TP53 36/4885NR1D1 4843/4885

“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.