SCHEMBL4073629

SCHEMBL4073629

N#CCS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.50
MMP9 P14780 8/20 0.50
MMP14 P50281 1/20 0.50
TP53 P04637 2/20 0.47
MMP3 P08254 1/20 0.44
MMP13 P45452 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MMP1 P03956 3/20 0.43
KIF11 P52732 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4072013 0.81 KAT6A (0.45) CYP3A4
SCHEMBL14572900 0.79 MMP2 (0.55) MMP2MMP9MMP14TP53MMP3
SCHEMBL5745852 0.78 BCHE (0.42) MMP2MMP9MMP14TP53BCHE
SCHEMBL16789640 0.77 FFAR4 (0.45) MMP2MMP9MMP14TP53BCHE
SCHEMBL2377118 0.77 MMP2 (0.54) MMP2MMP9MMP14TP53MMP3
SCHEMBL7967599 0.77 MMP1 (0.47) BCHEACHEMMP1KIF11MAPT
SCHEMBL4071220 0.77 PKM (0.54) MMP2MMP9MMP13MMP1MEN1
SCHEMBL17376377 0.77 ALDH1A1 (0.40) TP53MEN1KMT2AALDH1A1MAPT
SCHEMBL22056762 0.76 DDR1 (0.40) TP53BCHEACHEKIF11MEN1
SCHEMBL31514006 0.76 DDR1 (0.40) TP53BCHEACHEKIF11MEN1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251285-A1 HAIR COLORING COMPOSITIONS Wella International Operations Switzerland Sàrl (CH) 2023-10-04 EP disclosed
EP-4225264-A1 COSMETIC COMPOSITIONS AND USES THEREOF Coty Inc. (US) 2023-08-16 EP disclosed
EP-4225256-A1 COSMETIC COMPOSITIONS AND USES THEREOF Coty Inc. (US) 2023-08-16 EP disclosed
WO-2022112473-A1 HAIR COLORING COMPOSITIONS WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2022-06-02 WO disclosed
EP-3773923-A1 HAIR TREATMENT COMPOSITIONS, SYSTEMS, DEVICES AND METHODS HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-02-17 EP disclosed
WO-2019199779-A1 HAIR TREATMENT COMPOSITIONS, SYSTEMS, DEVICES AND METHODS MUNIZ DENA (US) 2019-10-17 WO disclosed
WO-2019161360-A1 SYSTEM FOR CUSTOMIZING HAIR DYE FORMULATIONS COTY INC. (US) 2019-08-22 WO disclosed
EP-3515561-A1 METHODS AND KITS FOR COLORING HAIR Noxell Corporation (US) 2019-07-31 EP disclosed
EP-3512488-A1 HAIR COLOR COMPOSITIONS COMPRISING STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM DYES Noxell Corporation (US) 2019-07-24 EP disclosed
WO-2019074736-A1 KERATIN DYEING COMPOUNDS, COMPOSITIONS CONTAINING THEM, AND METHOD AND USE THEREOF NOXELL CORPORATION (US) 2019-04-18 WO disclosed
US-20080113944-A1 Novel Indole Derivatives NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1758856-A2 INDOLE DERIVATIVES FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2007-03-07 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2005105785-A2 INDOLE DERIVATIVES FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-11-10 WO disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 WO disclosed
CN-1118468-C Pyrazolopyrimidines and pyrazolotriazines HOFFMANN LA ROCHE (CH) 2003-08-20 CN disclosed
US-6194410-B1 ANTISEROTONINE AGENTS; NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS HOFFMAN-LA ROCHE INC. 2001-02-27 US disclosed
CN-1236780-A Pyrazolopyrimidines and pyrazolotriazines HOFFMANN LA ROCHE (CH) 1999-12-01 CN disclosed
EP-0941994-A1 Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 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-20080113944-A1 Novel Indole Derivatives GPR119, FABP4, MC4R MMP2 3765/4885MMP9 4558/4885MMP14 3783/4885
US-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 MMP2 1587/4885MMP9 4280/4885MMP14 3254/4885

“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.