SCHEMBL4895351

SCHEMBL4895351

O=C(CCSC1CCCC1)NCc1ccco1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
HPGD P15428 5/20 0.67
POLB P06746 5/20 0.67
MAPT P10636 2/20 0.67
KDM4E B2RXH2 1/20 0.67
PTPN7 P35236 1/20 0.67
HSD17B10 Q99714 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL2115850 0.81 HPGD (1.00) ALDH1A1HPGDPOLBMAPTKDM4E
SCHEMBL5115655 0.80 KMT2A (0.60) ALDH1A1HPGDPOLBMAPTKDM4E
SCHEMBL4893134 0.79 ALDH1A1 (0.48) ALDH1A1HPGDPOLBMAPTKDM4E
SCHEMBL4886815 0.78 HPGD (0.78) ALDH1A1HPGDPOLBMAPTKDM4E
SCHEMBL5125106 0.77 RAB9A (0.58) ALDH1A1HPGDPOLBMAPTKDM4E
SCHEMBL29410065 0.77 ALDH1A1 (0.74) ALDH1A1HPGDPOLBMAPTKDM4E
SCHEMBL19726938 0.76 HPGD (0.73) ALDH1A1HPGDPOLBMAPTKDM4E
SCHEMBL4891081 0.75 HPGD (0.72) ALDH1A1HPGDPOLBMAPTKDM4E
SCHEMBL21630176 0.74 HPGD (0.71) ALDH1A1HPGDPOLBMAPTKDM4E
SCHEMBL5116644 0.74 HPGD (0.71) ALDH1A1HPGDPOLBMAPTKDM4E

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-20080025940-A1 Administration of 3-sulfanylpropanamide compounds for stimulating hair and eyelash growth and/or for stopping the loss and/or limiting the depigmentation thereof L'OREAL (FR) 2008-01-31 US disclosed
US-20080025940-A1 Administration of 3-sulfanylpropanamide compounds for stimulating hair and eyelash growth and/or for stopping the loss and/or limiting the depigmentation thereof L'OREAL (FR) 2008-01-31 US disclosed
US-20080025940-A1 Administration of 3-sulfanylpropanamide compounds for stimulating hair and eyelash growth and/or for stopping the loss and/or limiting the depigmentation thereof L'OREAL (FR) 2008-01-31 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-20080025940-A1 Administration of 3-sulfanylpropanamide compounds for stimulating hair and eyelash growth and/or for stopping the loss and/or limiting the depigmentation thereof KRT18, TYR, MC1R ALDH1A1 1607/4885HPGD 1145/4885POLB 2298/4885

“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.