SCHEMBL13601934

SCHEMBL13601934

CCCCN(CCC#N)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
LCK P06239 1/20 0.32

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
SCHEMBL19184916 0.94 TSHR (0.54) TSHR
SCHEMBL13601936 0.87 TSHR (0.44) TSHRLCK
SCHEMBL7319284 0.87 TSHR (0.40) TSHRLCK
Water SCHEMBL28587222 0.84 TSHR (0.35) TSHR
SCHEMBL865548 0.82 MMP1 (0.36) TSHR
SCHEMBL11668657 0.80 TSHR (0.40) TSHRLCK
Bromide SCHEMBL31364322 0.79 DNM1 (0.38) TSHR
Hydrochloric Acid SCHEMBL1428262 0.79 DNM1 (0.38) TSHR
SCHEMBL23735583 0.78 MAPK1 (0.41) TSHRLCK
SCHEMBL865701 0.77 FDPS (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-7166600-B2 Thiocarbamate inhibitors of alpha-4 integrins GENENTECH, INC. (US) 2007-01-23 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 (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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 TSHR 3347/4885LCK 65/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B TSHR 1263/4885LCK 237/4885

“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.