SCHEMBL15525640

SCHEMBL15525640

CC(C)(CC1CCCC1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
ALOX5 P09917 3/20 0.41
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
EPHX1 P07099 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CYP2D6 P10635 1/20 0.32
METAP1 P53582 1/20 0.32
CYP1A2 P05177 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32

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
SCHEMBL13580 0.98 ALOX5 (0.42) HSD11B1ALOX5GRM2GRM3THRA
SCHEMBL4185298 0.91 HSD11B1 (0.47) HSD11B1ALOX5GRM2GRM3THRA
SCHEMBL31662066 0.83 HSD11B1 (0.43) HSD11B1ALOX5THRATHRBEPHX1
SCHEMBL31037391 0.82 HSD11B1 (0.42) HSD11B1ALOX5THRATHRB
SCHEMBL14795154 0.81 ALOX5 (0.42) HSD11B1ALOX5GRM2GRM3THRA
SCHEMBL14795120 0.81 ALOX5 (0.42) HSD11B1ALOX5GRM2GRM3THRA
SCHEMBL3964139 0.80 HSD11B1 (0.39) HSD11B1THRATHRB
SCHEMBL1682650 0.80 GRM2 (0.43) HSD11B1ALOX5GRM2GRM3THRA
SCHEMBL8233826 0.79 GRM2 (0.44) ALOX5GRM2GRM3THRATHRB
Hydrochloric Acid SCHEMBL29904537 0.79 HSD11B1 (0.38) HSD11B1THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852598-B3 RING CONSTRAINED ANALOGS AS ARGINASE INHIBITORS MARS INC (US) 2016-10-19 EP disclosed
EP-2852598-B1 RING CONSTRAINED ANALOGS AS ARGINASE INHIBITORS MARS INC (US) 2016-05-11 EP disclosed
US-9200011-B2 Ring constrained analogs as arginase inhibitors MARS, INCORPORATED (US) 2015-12-01 US disclosed
EP-2852598-A1 RING CONSTRAINED ANALOGS AS ARGINASE INHIBITORS Mars, Incorporated (US) 2015-04-01 EP disclosed
US-20150080341-A1 RING CONSTRAINED ANALOGS AS ARGINASE INHIBITORS MARS, INCORPORATED 2015-03-19 US disclosed
WO-2013158262-A1 RING CONSTRAINED ANALOGS AS ARGINASE INHIBITORS MARS, INCORPORATED (US) 2013-10-24 WO 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 (1 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-20150080341-A1 RING CONSTRAINED ANALOGS AS ARGINASE INHIBITORS ARG1, ARG2, PADI1 HSD11B1 940/4885ALOX5 3799/4885GRM2 2719/4885

“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.