SCHEMBL21883049

SCHEMBL21883049

COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.51
NOS3 P29474 3/20 0.51
NOS1 P29475 3/20 0.51
CTSC P53634 5/20 0.50
DPP4 P27487 1/20 0.50
MC4R P32245 7/20 0.46
MC5R P33032 3/20 0.46
MC3R P41968 2/20 0.46
MC1R Q01726 2/20 0.46
CTSK P43235 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL7449032 0.90 KMT2A (0.54) CTSCDPP4CTSKKCNH2
SCHEMBL21883031 0.89 CTSC (0.50) NOS2CTSCDPP4CTSKKCNH2
SCHEMBL26510556 0.88 CTSC (0.63) CTSCDPP4
Hydrochloric Acid SCHEMBL10520878 0.87 CTSC (0.61) CTSCDPP4
Hydrochloric Acid SCHEMBL7271124 0.87 CTSC (0.61) CTSCDPP4
Hydrochloric Acid SCHEMBL10520881 0.87 CTSC (0.61) CTSCDPP4
SCHEMBL22503593 0.87 CTSC (0.55) CTSCMC4RMC5RMC3RMC1R
SCHEMBL6367722 0.87 CTSC (0.55) CTSCMC4RMC5RMC3RMC1R
SCHEMBL29413760 0.85 CTSC (0.59) CTSCCTSKKCNH2
SCHEMBL13974141 0.84 CTSC (0.58) CTSCDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 US disclosed
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-03-19 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-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules PAH, DBH, AHR NOS2 2276/4885NOS3 563/4885NOS1 2741/4885
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES PAH, DBH, AHR NOS2 2276/4885NOS3 563/4885NOS1 2741/4885

“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.