SCHEMBL13973790

SCHEMBL13973790

CCC(=O)c1cc(C(=O)C(C)(C)C)ncn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ GABRG1 Q8N1C3 1/20 0.37
▸ GABRG3 Q99928 1/20 0.37
▸ GABRQ Q9UN88 1/20 0.37
▸ MMP13 P45452 3/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PTGS1 P23219 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
SCHEMBL10268052 0.87 MEN1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10198831 0.87 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15942789 0.79 CYP3A4 (0.35) MMP13MEN1CYP3A4PTGS1DRD3
SCHEMBL15692569 0.79 KMO (0.46) MMP13
SCHEMBL30307658 0.76 MEN1 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28955966 0.76 MEN1 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13976876 0.71 KDM4E (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24242591 0.67 PPARA (0.42) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL20953597 0.67 PPARA (0.42) MEN1CYP3A4PTGS1DRD3KMT2A
SCHEMBL26719914 0.67 ACHE (0.39) PTGS1FYNHSP90AB1

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-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — US disclosed
US-20120295871-A1 HEPARIN-BASED COMPOSITIONS AND METHODS FOR THE INHIBITION OF METASTASIS DIAMOND, PAUL 2012-11-22 — — 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-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 GABRP 3692/4885GABRD 2564/4885GABRA1 4070/4885
US-20120295871-A1 HEPARIN-BASED COMPOSITIONS AND METHODS FOR THE INHIBITION OF METASTASIS HPSE, SERPINC1, CD44 GABRP 3611/4885GABRD 4730/4885GABRA1 4614/4885

“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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