SCHEMBL4170789

SCHEMBL4170789

CC(c1ccccc1)S(=O)(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.46
MMP1 P03956 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.44
MME P08473 1/20 0.44
CYP2C19 P33261 1/20 0.43
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL3207687 0.83 CA12 (0.49) GAAKMT2ACYP2C19CA12CA7
SCHEMBL2392454 0.77 KMT2A (0.43) KMT2ACYP2C19KDM4EGMNNALDH1A1
SCHEMBL16906095 0.75 ALDH1A1 (0.34) KMT2ACYP2C19CA12CA7CA9
SCHEMBL13189591 0.75 ALDH1A1 (0.44) KMT2ACYP2C19KDM4EGMNNALDH1A1
SCHEMBL16503498 0.75 ALDH1A1 (0.44) KMT2ACYP2C19KDM4EGMNNALDH1A1
SCHEMBL14719895 0.74 TSHR (0.53) MMP12MMP1GAAKMT2ACYP2C19
SCHEMBL9570165 0.74 ALDH1A1 (0.41) KMT2AKDM4EGMNNALDH1A1LMNA
SCHEMBL22193557 0.74 KMT2A (0.46) GAAKMT2AKDM4EGMNNALDH1A1
SCHEMBL4619215 0.74 ADAMTS4 (0.53) MMP1KMT2AMMEMMP13KDM4E
SCHEMBL4621060 0.74 ADAMTS4 (0.53) MMP1KMT2AMMEMMP13KDM4E

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-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin SHISEIDO COMPANY LTD (JP) 2009-08-27 US disclosed
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 EP disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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 (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-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin CUTA, STOM, MTOR MMP12 1873/4885MMP1 755/4885GAA 1046/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 MMP12 1035/4885MMP1 3485/4885GAA 496/4885

“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.