SCHEMBL16805958

SCHEMBL16805958

CC(C)CC(N)c1cccc(NCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 2/20 0.40
▸ MC4R P32245 1/20 0.40
▸ CA12 O43570 5/20 0.40
▸ CA1 P00915 5/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA9 Q16790 5/20 0.40
▸ CA4 P22748 4/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ ENPEP Q07075 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MTOR P42345 1/20 0.36
▸ FADS1 O60427 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CTSL P07711 1/20 0.36

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
SCHEMBL16805952 0.86 S1PR1 (0.41) MC4RCA12CA1CA2CA9
SCHEMBL16809244 0.86 CA12 (0.41) FABP4CA12CA1CA2CA9
SCHEMBL5290492 0.82 FADS1 (0.48) FABP4CA12CA1CA2CA9
SCHEMBL396327 0.80 PTGS1 (0.50) FABP4CA12CA1CA2CA9
SCHEMBL7566553 0.76 MME (0.43) MEN1KMT2AHSD17B10ALDH1A1LMNA
Leucine SCHEMBL11019376 0.75 SLC7A5 (0.55) ANPEPMAPK1HSD17B10ALDH1A1LMNA
Leucine SCHEMBL11019375 0.75 SLC7A5 (0.55) ANPEPMAPK1HSD17B10ALDH1A1LMNA
SCHEMBL16805947 0.75 LMNA (0.54) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL340537 0.75 AKR1C3 (0.55) FABP4CA12CA1CA2CA9
SCHEMBL8309851 0.73 KDM4E (0.43) FABP4CA12CA1CA2CA9

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-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 — — US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 — — 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 (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-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GNRHR, FSHR, GHRHR FABP4 1575/4885MC4R 81/4885CA12 3606/4885

“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.

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