SCHEMBL11332452

SCHEMBL11332452

CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.72
CTSS P25774 2/20 0.72
SIRT2 Q8IXJ6 10/20 0.69
SIRT1 Q96EB6 8/20 0.69
MME P08473 1/20 0.64
ECE1 P42892 1/20 0.64
TGM2 P21980 1/20 0.59
SIRT3 Q9NTG7 4/20 0.58
CTSK P43235 2/20 0.57
FOLH1 Q04609 2/20 0.57
CTSB P07858 1/20 0.57

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
SCHEMBL150166 1.00 CTSL (0.72) CTSLCTSSSIRT2SIRT1MME
SCHEMBL4126228 1.00 CTSL (0.72) CTSLCTSSSIRT2SIRT1MME
Hydrochloric Acid SCHEMBL4438043 0.99 CTSL (0.70) CTSLCTSSSIRT2SIRT1MME
SCHEMBL17279329 0.96 SIRT2 (0.74) CTSLCTSSSIRT2SIRT1MME
SCHEMBL11308449 0.96 SIRT2 (0.74) CTSLCTSSSIRT2SIRT1MME
SCHEMBL17694104 0.96 SIRT2 (0.74) CTSLCTSSSIRT2SIRT1MME
SCHEMBL2963543 0.95 SIRT2 (0.76) CTSLCTSSSIRT2SIRT1MME
SCHEMBL21357647 0.95 SIRT2 (0.76) CTSLCTSSSIRT2SIRT1MME
SCHEMBL7689520 0.95 SIRT2 (0.76) CTSLCTSSSIRT2SIRT1MME
SCHEMBL4787188 0.95 SIRT2 (0.76) CTSLCTSSSIRT2SIRT1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11679090-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2023-06-20 US disclosed
US-20170114080-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2017-04-27 US disclosed
US-4288432-A ANALGESICS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1981-09-08 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 (2 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-20170114080-A1 MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF GATD3, GABRR2, GABRR3 CTSL 4880/4885CTSS 4782/4885SIRT2 388/4885
US-11679090-B2 Modulators of Sestrin-GATOR2 interaction and uses thereof GATD3, GABRR2, GABRR3 CTSL 4880/4885CTSS 4782/4885SIRT2 388/4885

“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.