SCHEMBL1702840

SCHEMBL1702840

CS(=O)(=O)O[C@](C#CC1CC1)(c1cc(-c2ccccc2)ccc1N)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.31
PTPN1 P18031 1/20 0.30
HDAC3 O15379 2/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC2 Q92769 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL1703046 0.85 FFAR4 (0.32) FFAR4
SCHEMBL1703089 0.84 CYP46A1 (0.33) FFAR4
SCHEMBL12469952 0.81 USP30 (0.32)
SCHEMBL1702843 0.80 AR (0.40) HDAC8PTPN1HDAC3HDAC1HDAC2
SCHEMBL1702839 0.80 AR (0.40) HDAC8PTPN1HDAC3HDAC1HDAC2
SCHEMBL1702996 0.75 AR (0.42) HDAC8PTPN1HDAC3HDAC1HDAC2
SCHEMBL1702993 0.75 AR (0.42) HDAC8PTPN1HDAC3HDAC1HDAC2
SCHEMBL991893 0.67 CYP46A1 (0.35)
SCHEMBL1703049 0.64 AR (0.42) FFAR4
SCHEMBL1703045 0.64 AR (0.42) FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627627-B1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed
EP-2627643-B1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-20160326101-A1 Process for the Synthesis of Chiral Propargylic Alcohols BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-8969550-B2 Process for the synthesis of cyclic carbamates LONZA LTD. (CH) 2015-03-03 US disclosed
US-8957204-B2 Process for the synthesis of cyclic carbamates LONZA LTD. (CH) 2015-02-17 US disclosed
EP-2627642-B1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA AG (CH) 2014-12-24 EP disclosed
US-20130324763-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS LONZA LTD (CH) 2013-12-05 US disclosed
US-20130217875-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2013-08-22 US disclosed
US-20130211077-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2013-08-15 US disclosed
EP-2447255-A1 Process for the synthesis of cyclic carbamates Lonza Ltd. (CH) 2012-05-02 EP disclosed
EP-2447247-A1 Process for the synthesis of chiral propargylic alcohols Lonza Ltd. (CH) 2012-05-02 EP disclosed
EP-2441759-A1 Process for the synthesis of cyclic carbamates Lonza Ltd. (CH) 2012-04-18 EP 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 (4 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-20160326101-A1 Process for the Synthesis of Chiral Propargylic Alcohols ADH1C, ADH1A, ADH5 HDAC8 4697/4885PTPN1 4737/4885HDAC3 3670/4885
US-20130217875-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES PLCG2, PLCG1, CPS1 HDAC8 3952/4885PTPN1 3345/4885HDAC3 3751/4885
US-20130324763-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS ADH1C, ADH1A, ADH5 HDAC8 4697/4885PTPN1 4737/4885HDAC3 3670/4885
US-20130211077-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES PLCG2, PLCG1, PLCB1 HDAC8 3057/4885PTPN1 2452/4885HDAC3 3971/4885

“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.