SCHEMBL12469677

SCHEMBL12469677

Cc1ccc(N)c([C@@](O)(C#CC2CC2)C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
AR P10275 1/20 0.50
FFAR4 Q5NUL3 1/20 0.33
ALOX15 P16050 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SYK P43405 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL15168736 1.00 SMN1; SMN2 (0.54) SMN1; SMN2ARFFAR4ALOX15TP53
SCHEMBL1702851 0.85 AR (0.45) SMN1; SMN2ARALDH1A1
SCHEMBL1702847 0.85 AR (0.45) SMN1; SMN2ARALDH1A1
SCHEMBL30436667 0.84 AR (0.50) SMN1; SMN2ARFFAR4ALOX15CYP3A4
SCHEMBL524307 0.84 AR (0.50) SMN1; SMN2ARFFAR4ALOX15CYP3A4
SCHEMBL1702996 0.81 AR (0.42) SMN1; SMN2ARALOX15ALDH1A1HSD17B10
SCHEMBL1702993 0.81 AR (0.42) SMN1; SMN2ARALOX15ALDH1A1HSD17B10
SCHEMBL1703049 0.80 AR (0.42) SMN1; SMN2ARFFAR4
SCHEMBL1703045 0.80 AR (0.42) SMN1; SMN2ARFFAR4
SCHEMBL1703087 0.79 AR (0.47) SMN1; SMN2ARFFAR4

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 16 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
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-9073817-B2 Efficient process to induce enantioselectivity in procarbonyl compounds LAURUS LABS PRIVATE LIMITED (IN) 2015-07-07 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
EP-2627627-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS Lonza Ltd (CH) 2013-08-21 EP disclosed
EP-2627642-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES Lonza Ltd (CH) 2013-08-21 EP disclosed
US-20130211077-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2013-08-15 US disclosed
WO-2012048886-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2012-04-19 WO disclosed
WO-2012048887-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS LONZA LTD (CH) 2012-04-19 WO disclosed
US-8080655-B2 Methods of making efavirenz and intermediates thereof APOTEX PHARMACHEM INC. (CA) 2011-12-20 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 (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 SMN1; SMN2 4515/4885AR 3033/4885FFAR4 1388/4885
US-20130217875-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES PLCG2, PLCG1, CPS1 SMN1; SMN2 4869/4885AR 3636/4885FFAR4 3591/4885
US-20130324763-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS ADH1C, ADH1A, ADH5 SMN1; SMN2 4515/4885AR 3033/4885FFAR4 1388/4885
US-20130211077-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES PLCG2, PLCG1, PLCB1 SMN1; SMN2 4825/4885AR 2944/4885FFAR4 4206/4885

“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.