SCHEMBL16809244

SCHEMBL16809244

CCC(N)c1cccc(NCC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.41
▸ CA1 P00915 6/20 0.41
▸ CA2 P00918 6/20 0.41
▸ CA9 Q16790 6/20 0.41
▸ CA4 P22748 4/20 0.41
▸ ANPEP P15144 1/20 0.41
▸ ENPEP Q07075 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ FABP4 P15090 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL15245062 0.86 ALDH1A1 (0.42) CA12CA1CA2CA9ANPEP
SCHEMBL16805958 0.86 FABP4 (0.40) CA12CA1CA2CA9CA4
SCHEMBL5290492 0.81 FADS1 (0.48) CA12CA1CA2CA9CA4
SCHEMBL396327 0.79 PTGS1 (0.50) CA12CA1CA2CA9CA4
SCHEMBL340537 0.77 AKR1C3 (0.55) CA12CA1CA2CA9CA4
SCHEMBL8309851 0.75 KDM4E (0.43) CA12CA1CA2CA9CA4
SCHEMBL7566553 0.75 MME (0.43) ALDH1A1KMT2AMEN1POLB
SCHEMBL10589387 0.74 ALDH1A1 (0.55) CA12CA1CA2CA9CA4
SCHEMBL15245059 0.73 LMNA (0.56) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7612693 0.73 ANPEP (0.73) CA12CA1CA2CA9ANPEP

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 CA12 3606/4885CA1 2102/4885CA2 3304/4885

“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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