SCHEMBL2331048

SCHEMBL2331048

COc1ccc(C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.61
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
CA1 P00915 5/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
PTPN1 P18031 1/20 0.48
PLK1 P53350 1/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL2331045 1.00 CA2 (0.61) CA2TAS1R3TAS1R1CA1ALDH1A1
SCHEMBL9829563 0.85 CA2 (0.63) CA2TAS1R3TAS1R1CA1ALDH1A1
SCHEMBL9829566 0.85 CA2 (0.63) CA2TAS1R3TAS1R1CA1ALDH1A1
SCHEMBL13583708 0.84 TAS1R3 (0.56) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL13583710 0.84 TAS1R3 (0.56) TAS1R3TAS1R1ALDH1A1NPC1RAB9A
SCHEMBL10658891 0.84 CA2 (0.51) CA2CA1
SCHEMBL10658899 0.84 CA2 (0.51) CA2CA1
SCHEMBL2328024 0.82 CA2 (0.52) CA2CA1PTPN1CTSLCTSS
SCHEMBL2328019 0.82 CA2 (0.52) CA2CA1PTPN1CTSLCTSS
SCHEMBL18979327 0.81 CA2 (0.59) CA2TAS1R3TAS1R1CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP claimed
US-9066914-B2 Prophylactic or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2015-06-30 US claimed
EP-2524686-A1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2012-11-21 EP claimed
US-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-11-08 US claimed
EP-4234042-B1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR POLA CHEM IND INC (JP) 2025-08-13 EP disclosed
EP-4234042-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR Pola Chemical Industries, Inc. (JP) 2023-08-30 EP disclosed
EP-3708148-B1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR POLA CHEM IND INC (JP) 2023-07-19 EP disclosed
EP-3708148-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR Pola Chemical Industries Inc. (JP) 2020-09-16 EP disclosed
US-10568822-B2 Melanogenesis inhibitor comprising d-pantothenyl alcohol, and skin-whitening cosmetic containing same melanogenesis inhibitor POLA CHEMICAL INDUSTRIES, INC. (JP) 2020-02-25 US disclosed
EP-3536306-A2 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR Pola Chemical Industries Inc. (JP) 2019-09-11 EP disclosed
EP-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP disclosed
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
EP-3127533-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR Pola Chemical Industries Inc. (JP) 2017-02-08 EP disclosed
US-9066914-B2 Prophylactic or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2015-06-30 US disclosed
US-8835498-B2 Anti-wrinkle agents POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-16 US disclosed
EP-2524686-A1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2012-11-21 EP disclosed
US-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-11-08 US disclosed
US-20110245343-A1 ANTI-WRINKLE AGENTS POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
EP-2356979-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2011-08-17 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 (4 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 CA2 4816/4885TAS1R3 2657/4885TAS1R1 2890/4885
US-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, NQO1 CA2 894/4885TAS1R3 3316/4885TAS1R1 2922/4885
US-20110245343-A1 ANTI-WRINKLE AGENTS GLA, H1-4, H1-3 CA2 2926/4885TAS1R3 746/4885TAS1R1 809/4885
US-10568822-B2 Melanogenesis inhibitor comprising d-pantothenyl alcohol, and skin-whitening cosmetic containing same melanogenesis inhibitor MC1R, TYR, NAMPT CA2 4816/4885TAS1R3 2657/4885TAS1R1 2890/4885

“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.