SCHEMBL13640476

SCHEMBL13640476

CC(=O)C(CS(=O)(=O)O)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGDS O60760 2/20 0.51
CTSB P07858 2/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
UTS2R Q9UKP6 3/20 0.45
ADAMTS4 O75173 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL2326371 0.88 HPGDS (0.54) NPC1RAB9AHPGDSCTSBCTSS
SCHEMBL2326366 0.88 HPGDS (0.54) NPC1RAB9AHPGDSCTSBCTSS
SCHEMBL13640417 0.85 SMN1; SMN2 (0.53) NPC1RAB9ACTSBCTSSCTSK
SCHEMBL18803705 0.83 NPC1 (0.59) NPC1RAB9AHPGDSCTSBCTSS
SCHEMBL18803706 0.83 CA2 (0.43)
SCHEMBL2328024 0.80 CA2 (0.52) CTSBCTSS
SCHEMBL2328019 0.80 CA2 (0.52) CTSBCTSS
SCHEMBL27822898 0.78 GAA (0.51) RAB9ACTSBCTSSCTSKL3MBTL1
SCHEMBL2330340 0.78 GAA (0.51) RAB9ACTSBCTSSCTSKL3MBTL1
SCHEMBL13640416 0.78 TAS1R3 (0.53) CTSBCTSSCTSKL3MBTL1SMN1; SMN2

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-20170119638-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR POLA CHEMICAL INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
US-9066914-B2 Prophylactic or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2015-06-30 US disclosed
US-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-11-08 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-20170119638-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR MC1R, TYR, NAMPT NPC1 2716/4885RAB9A 3168/4885HPGDS 1082/4885
US-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, NQO1 NPC1 762/4885RAB9A 2440/4885HPGDS 768/4885

“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.