SCHEMBL3980744

SCHEMBL3980744

C=CC(=O)CC(CN)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL11023618 0.98 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL50400 0.80 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL1119824 0.74 LMNA (0.46) ALDH1A1TSHR
SCHEMBL3728027 0.74 GABRR1 (0.31)
Acrylamide SCHEMBL29170832 0.73 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL466386 0.72 GRIK1 (0.31)
SCHEMBL13192615 0.72 CYP1A2 (0.30)
SCHEMBL7568558 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL27959803 0.72
SCHEMBL9279118 0.71 GRIK1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438902-B1 CLEANSING METHOD KAO CORP (JP) 2020-02-26 EP claimed
EP-1786446-B1 Hydroalcoholic extract of Uncaria tomentosa for the treatment of herpes virus infection HERBARIUM LABORATÓRIO BOTÁNICO LTDA (BR) 2015-09-30 EP claimed
EP-3151816-A1 NIACINAMIDE-BASED DERMATOLOGICAL COMPOSITION Espa SA-Experts in Science&Product Achievements (FR) 2017-04-12 EP disclosed
WO-2015185867-A1 NIACINAMIDE-BASED DERMATOLOGICAL COMPOSITION ESPA SA-EXPERTS IN SCIENCE & PRODUCT ACHIEVEMENTS (FR) 2015-12-10 WO disclosed
US-20090209642-A1 Hydroxy Acid Complexes for Antiaging and Skin Renovation BIODERM RESEARCH (US) 2009-08-20 US disclosed
US-7547454-B2 Hydroxy acid complexes for antiaging and skin renovation GUPTA SHYAM K 2009-06-16 US disclosed
US-20070166255-A1 Treatment of Topical Discomforts Including Acne, Sunburn, Diaper Rash, Wound, Wrinkles and Dandruff/Hair Loss by Natural Lignans via Fatty Acid Desaturase Inhibition GUPTA SHYAM K 2007-07-19 US disclosed
US-20070092461-A1 Novel Hydroxy Acid Complexes for Antiaging and Skin Renovation BIODERM RESEARCH (US) 2007-04-26 US disclosed
US-20060147508-A1 Concurrent Enhancement of Skin Penetration of Organic Base Active Agents and Organic Hydroxy Acid Active Agents as Their Ion-Pair Complexes BIODERM RESEARCH (US) 2006-07-06 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-20090209642-A1 Hydroxy Acid Complexes for Antiaging and Skin Renovation CUTA, SLC30A6, SLC30A7 ALDH1A1 1013/4885TSHR 2369/4885

“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.