SCHEMBL19999880

SCHEMBL19999880

CC(C)c1nc(C(C)(C)C)sc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PKM P14618 1/20 0.31
IKBKB O14920 4/20 0.31
LIMK1 P53667 1/20 0.30
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
SCHEMBL16476778 0.80 CNR1 (0.38) TSHRMAPK1CNR1CNR2PKM
SCHEMBL17481288 0.77 IKBKB (0.36) TSHRMAPK1PKMIKBKBLIMK1
SCHEMBL15472486 0.77 ALDH1A1 (0.41) CNR1CNR2IKBKBLIMK1ALDH1A1
SCHEMBL5519898 0.77 CNR1 (0.49) TSHRCNR1CNR2IKBKBLIMK1
SCHEMBL16476769 0.76 HPGD (0.38) TSHRMAPK1CNR1CNR2ALDH1A1
SCHEMBL22762361 0.70
SCHEMBL13487529 0.70
SCHEMBL17483800 0.69 ALDH1A1 (0.39) IKBKBLIMK1ALDH1A1HSD17B10
SCHEMBL19059552 0.68
SCHEMBL3513465 0.65 CNR1 (0.37) CNR1CNR2IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 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 (1 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-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK TSHR 2925/4885MAPK1 954/4885CNR1 930/4885

“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.