SCHEMBL1702847

SCHEMBL1702847

Nc1ccc(F)cc1[C@](O)(C#CC1CC1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KEAP1 Q14145 1/20 0.31

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
SCHEMBL1702851 1.00 AR (0.45) ARSMN1; SMN2ALDH1A1KEAP1
SCHEMBL1703045 0.92 AR (0.42) ARSMN1; SMN2
SCHEMBL1703049 0.92 AR (0.42) ARSMN1; SMN2
SCHEMBL15168736 0.85 SMN1; SMN2 (0.54) ARSMN1; SMN2ALDH1A1
SCHEMBL12469677 0.85 SMN1; SMN2 (0.54) ARSMN1; SMN2ALDH1A1
SCHEMBL524308 0.85 AR (0.50) ARSMN1; SMN2ALDH1A1
SCHEMBL30436667 0.85 AR (0.50) ARSMN1; SMN2ALDH1A1
SCHEMBL524307 0.85 AR (0.50) ARSMN1; SMN2ALDH1A1
SCHEMBL1702996 0.82 AR (0.42) ARSMN1; SMN2ALDH1A1
SCHEMBL1702993 0.82 AR (0.42) ARSMN1; SMN2ALDH1A1

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 AR 3033/4885SMN1; SMN2 4515/4885ALDH1A1 49/4885
US-20130217875-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES PLCG2, PLCG1, CPS1 AR 3636/4885SMN1; SMN2 4869/4885ALDH1A1 1705/4885
US-20130324763-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS ADH1C, ADH1A, ADH5 AR 3033/4885SMN1; SMN2 4515/4885ALDH1A1 49/4885
US-20130211077-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES PLCG2, PLCG1, PLCB1 AR 2944/4885SMN1; SMN2 4825/4885ALDH1A1 2403/4885

“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.