SCHEMBL13150910

SCHEMBL13150910

CC1(C)OB(c2ccc(N3C[C@H](CNC(=O)C(F)F)OC3=O)cc2F)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.50
MAOB P27338 5/20 0.50
PTGS1 P23219 2/20 0.50
SDHA P31040 2/20 0.50
LMNA P02545 1/20 0.50
CALML3 P27482 1/20 0.50
F10 P00742 6/20 0.49

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
SCHEMBL12956323 0.92 F10 (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL1031591 0.90 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL1031592 0.90 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5917572 0.88 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13428648 0.83 F10 (0.66) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14838111 0.83 CALML3 (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL411137 0.83 CALML3 (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL13484703 0.82 F10 (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10196142 0.82 CALML3 (0.44) MAOAMAOBPTGS1SDHALMNA
SCHEMBL12956275 0.81 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-9376400-B2 Process for the synthesis of triazoles MELINTA THERAPEUTICS, INC. (US) 2016-06-28 US disclosed
US-20150158827-A1 Process for the Synthesis of Triazoles MELINTA SUBSIDIARY CORP. 2015-06-11 US disclosed
US-20150158827-A1 Process for the Synthesis of Triazoles MELINTA SUBSIDIARY CORP. 2015-06-11 US disclosed
US-8796465-B2 Process for the syntheses of triazoles MELINTA THERAPEUTICS, INC. (US) 2014-08-05 US disclosed
US-8796465-B2 Process for the syntheses of triazoles MELINTA THERAPEUTICS, INC. (US) 2014-08-05 US disclosed
US-20140031402-A1 Process for the Syntheses of Triazoles RIB-X PHARMACEUTICALS, INC. (US) 2014-01-30 US disclosed
US-20140031402-A1 Process for the Syntheses of Triazoles RIB-X PHARMACEUTICALS, INC. (US) 2014-01-30 US disclosed
US-8399660-B2 Process for the synthesis of triazoles RIB-X PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234615-A1 Process for the synthesis of triazoles MELINTA SUBSIDIARY CORP. 2010-09-16 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 (3 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-20100234615-A1 Process for the synthesis of triazoles PROKR1, SI, IL33 MAOA 1726/4885MAOB 1344/4885PTGS1 51/4885
US-20140031402-A1 Process for the Syntheses of Triazoles PROKR1, VIP, SI MAOA 1794/4885MAOB 1380/4885PTGS1 49/4885
US-20150158827-A1 Process for the Synthesis of Triazoles PROKR1, SI, IL33 MAOA 1726/4885MAOB 1344/4885PTGS1 51/4885

“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.