SCHEMBL4095386

SCHEMBL4095386

Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](CO)NC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 2/20 0.48
ALB P02768 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL4433373 0.81 ALDH1A1 (0.50) ALDH1A1LMNAALBCYP2C9TSHR
SCHEMBL27513081 0.81 ALDH1A1 (0.50) ALDH1A1LMNAALBCYP2C9TSHR
SCHEMBL29438757 0.81 ALDH1A1 (0.50) ALDH1A1LMNAALBCYP2C9TSHR
Hydrochloric Acid SCHEMBL4425988 0.81 ALDH1A1 (0.49) ALDH1A1LMNAALBCYP2C9TSHR
SCHEMBL6402178 0.80 GAA (0.42) ALDH1A1LMNAALBCYP2C9TSHR
SCHEMBL759821 0.80 ALDH1A1 (0.48) ALDH1A1LMNAALBCYP2C9TSHR
SCHEMBL6402176 0.79 ALDH1A1 (0.43) ALDH1A1LMNAALBCYP2C9TSHR
SCHEMBL14265312 0.79 ITGB3 (0.49) ALDH1A1LMNAALBCYP2C9TSHR
SCHEMBL27538377 0.78 ALDH1A1 (0.54) ALDH1A1LMNAALBCYP2C9TSHR
SCHEMBL3488972 0.78 ALDH1A1 (0.53) ALDH1A1LMNAALBCYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA ALDH1A1 1963/4885LMNA 117/4885ALB 4629/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 ALDH1A1 1279/4885LMNA 132/4885ALB 4656/4885

“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.