SCHEMBL5632671

SCHEMBL5632671

CCCCN1C(=O)C(=C2SCCCS2)C(=O)N(C2CCCCC2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
HTT P42858 4/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALOX15 P16050 1/20 0.35
CREBBP Q92793 1/20 0.35
MAPK1 P28482 4/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
USP2 O75604 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
CDC25B P30305 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
SCHEMBL5632839 1.00 ALDH1A1 (0.36) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL5632994 1.00 ALDH1A1 (0.36) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL5633146 0.99 ALDH1A1 (0.34) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL5634261 0.84 ALDH1A1 (0.38) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL5634017 0.83 AGTR1 (0.36) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL5634473 0.83 L3MBTL1 (0.38) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL5633658 0.80 OPRM1 (0.35) ALDH1A1HTTMAPTLMNAHSD17B10
SCHEMBL30942885 0.79 MEN1 (0.30) ALDH1A1MAPK1L3MBTL1MEN1USP2
SCHEMBL31715603 0.79
SCHEMBL5633394 0.79 ALDH1A1 (0.31) ALDH1A1HTTMAPTMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123548-A1 Pth agonists COWAN DAVID J 2007-05-31 US disclosed
EP-1713782-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005077918-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (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-20070123548-A1 Pth agonists PTH1R, SSTR3, CALCR ALDH1A1 3899/4885HTT 2176/4885MAPT 4835/4885

“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.