SCHEMBL3880837

SCHEMBL3880837

C[C@H]1CC[C@H](C)P1c1csc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
CYP2A6 P11509 3/20 0.41
TP53 P04637 2/20 0.39
SLC6A4 P31645 3/20 0.38
DRD2 P14416 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
PKM P14618 1/20 0.36
CHRNA7 P36544 1/20 0.34
KDM1A O60341 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL13957759 1.00 MAPT (0.41) MAPTCYP2A6TP53SLC6A4DRD2
SCHEMBL29516775 0.72 MEN1 (0.33) PKM
SCHEMBL9913795 0.72 MEN1 (0.33) PKM
SCHEMBL2913969 0.72 MEN1 (0.33) PKM
SCHEMBL12661273 0.72 MEN1 (0.33) PKM
SCHEMBL14092707 0.72 MEN1 (0.33) PKM
SCHEMBL14045335 0.72 MEN1 (0.33) PKM
SCHEMBL19968395 0.72 MEN1 (0.33) PKM
SCHEMBL12084063 0.72 MEN1 (0.33) PKM
SCHEMBL2592750 0.72 MEN1 (0.33) PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483273-B1 LIGANDS FOR ASYMMETRIC REACTIONS SOLVIAS AG (CH) 2009-01-07 EP disclosed
US-7407910-B2 Ligands for asymmetric reactions SOLVIAS AG (CH) 2008-08-05 US disclosed
US-7407910-B2 Ligands for asymmetric reactions SOLVIAS AG (CH) 2008-08-05 US disclosed
US-7407910-B2 Ligands for asymmetric reactions SOLVIAS AG (CH) 2008-08-05 US disclosed
US-20060241307-A1 Bidentate having a heterocyclic ring, especially benzothiophene, 2,3-disubstituted with phosphonate, phosphine, phosphine oxide, dioxyphosphine or diaminophosphine groups; transition metal complexes; hydrogenation, isomerizatioin, hydroformylation, hydroboration, hydrosilylation or hydrocyanation BERENS ULRICH 2006-10-26 US disclosed
US-7094907-B2 Ligands for asymmetric reactions SOLVIAS AG (CH) 2006-08-22 US disclosed
US-20040260091-A1 Ligands for asymmetric reactions SOLVIAS AG (CH) 2004-12-23 US disclosed
EP-1483273-A2 LIGANDS FOR ASYMMETRIC REACTIONS Solvias AG (CH) 2004-12-08 EP disclosed
WO-2003031456-A2 LIGANDS FOR ASYMMETRIC REACTIONS SOLVIAS AG (CH) 2003-04-17 WO 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 (2 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-20060241307-A1 Bidentate having a heterocyclic ring, especially benzothiophene, 2,3-disubstituted with phosphonate, phosphine, phosphine oxide, dioxyphosphine or diaminophosphine groups; transition metal complexes; hydrogenation, isomerizatioin, hydroformylation, hydroboration, hydrosilylation or hydrocyanation NR2E3, WNK2, OXSR1 MAPT 4013/4885CYP2A6 1546/4885TP53 3943/4885
US-20040260091-A1 Ligands for asymmetric reactions COASY, ICMT, AP2M1 MAPT 4284/4885CYP2A6 399/4885TP53 3675/4885

“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.