SCHEMBL3391444

SCHEMBL3391444

CCCSC(NC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL3394612 0.82
SCHEMBL4956296 0.79 KDM4E (0.39) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL18901740 0.79 RNPEP (0.34)
SCHEMBL4954061 0.78 ADH1B (0.32) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4953275 0.78 CYP2C9 (0.39) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4949608 0.76 CHRM1 (0.30) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4956990 0.76 HDAC3 (0.39) HDAC1HDAC2MAPK1
SCHEMBL4954174 0.75 TP53 (0.34)
SCHEMBL4952995 0.75 ACE (0.32)
SCHEMBL18944755 0.74 ALDH1A1 (0.50) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560558-B1 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD (KR) 2010-12-29 EP claimed
EP-1560558-A4 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD (KR) 2008-09-24 EP claimed
JP-2006508103-A 2006-03-09 JP claimed
US-6987090-B2 Use of 3-position cyclosporin derivatives for hair growth LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2006-01-17 US claimed
EP-1560558-A1 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG Household & Health Care Ltd. (KR) 2005-08-10 EP claimed
WO-2004041221-A1 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2004-05-21 WO claimed
US-20040087496-A1 Use of 3-position cyclosporin derivatives for hair growth LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2004-05-06 US claimed
EP-1560558-B1 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD (KR) 2010-12-29 EP disclosed
EP-1560558-A4 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD (KR) 2008-09-24 EP disclosed
US-6987090-B2 Use of 3-position cyclosporin derivatives for hair growth LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2006-01-17 US disclosed
EP-1560558-A1 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG Household & Health Care Ltd. (KR) 2005-08-10 EP disclosed
WO-2004041221-A1 USE OF 3-POSITION CYCLOSPORIN DERIVATIVES FOR HAIR GROWTH LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2004-05-21 WO disclosed
US-20040087496-A1 Use of 3-position cyclosporin derivatives for hair growth LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2004-05-06 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-20040087496-A1 Use of 3-position cyclosporin derivatives for hair growth TPMT, BHMT2, SUCLG1 TDP1 2868/4885CHRM1 4879/4885AKR1A1 2290/4885

“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.