SCHEMBL1702993

SCHEMBL1702993

Nc1ccc(-c2ccccc2)cc1[C@](O)(C#CC1CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
PGR P06401 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
IKBKB O14920 1/20 0.35
HDAC2 Q92769 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC3 O15379 3/20 0.34

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
SCHEMBL1702996 1.00 AR (0.42) ARPGRKDM4EMEN1USP2
SCHEMBL1702843 0.92 AR (0.40) ARPGRIKBKBHDAC2HDAC1
SCHEMBL1702839 0.92 AR (0.40) ARPGRIKBKBHDAC2HDAC1
SCHEMBL1702847 0.82 AR (0.45) ARALDH1A1SMN1; SMN2
SCHEMBL1702851 0.82 AR (0.45) ARALDH1A1SMN1; SMN2
SCHEMBL30436667 0.81 AR (0.50) ARPGRALDH1A1MAPTHPGD
SCHEMBL524308 0.81 AR (0.50) ARPGRALDH1A1MAPTHPGD
SCHEMBL12469677 0.81 SMN1; SMN2 (0.54) ARALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL524307 0.81 AR (0.50) ARPGRALDH1A1MAPTHPGD
SCHEMBL15168736 0.81 SMN1; SMN2 (0.54) ARALDH1A1ALOX15HSD17B10SMN1; SMN2

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-2447247-A1 Process for the synthesis of chiral propargylic alcohols Lonza Ltd. (CH) 2012-05-02 EP disclosed
EP-2447255-A1 Process for the synthesis of cyclic carbamates 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 3033/4885PGR 2209/4885KDM4E 2173/4885
US-20130217875-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES PLCG2, PLCG1, CPS1 AR 3636/4885PGR 825/4885KDM4E 1989/4885
US-20130324763-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS ADH1C, ADH1A, ADH5 AR 3033/4885PGR 2209/4885KDM4E 2173/4885
US-20130211077-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES PLCG2, PLCG1, PLCB1 AR 2944/4885PGR 1815/4885KDM4E 1778/4885

“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.