SCHEMBL3035866

SCHEMBL3035866

CC(=O)[N]C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
MAPT P10636 4/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 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
SCHEMBL543877 0.85 CES1 (0.55) CES2CES1ALDH1A1TSHRDAO
SCHEMBL3784819 0.80 CES1 (0.50) CES2CES1ALDH1A1TSHRDAO
SCHEMBL1165410 0.77 CES1 (0.52) CES2CES1ALDH1A1TSHRDAO
SCHEMBL8995168 0.76 CES2 (0.50) CES2CES1ALDH1A1TSHRDAO
SCHEMBL1750474 0.76 TDP1 (0.54) CES2CES1ALDH1A1TSHRDAO
SCHEMBL4814321 0.76 CES1 (0.50) CES2CES1ALDH1A1TSHRDAO
SCHEMBL11466936 0.76 TSHR (0.54) CES2CES1ALDH1A1TSHRDAO
SCHEMBL125975 0.75 CES1 (0.50) CES2CES1ALDH1A1TSHRDAO
Hydrochloric Acid SCHEMBL27498836 0.75 CES1 (0.50) CES2CES1ALDH1A1TSHRDAO
SCHEMBL8688954 0.74 TSHR (0.46) CES2CES1ALDH1A1TSHRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5623075-A NONLINEAR OPTICS SYSTEMS BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US claimed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0691382-B1 Thiazolomethine dyes BASF AG (DE) 1997-12-29 EP disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
US-5623075-A NONLINEAR OPTICS SYSTEMS BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0691382-A1 Thiazolomethine dyes BASF AKTIENGESELLSCHAFT (DE) 1996-01-10 EP disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
US-4542086-A GRADATION CONTROL FUJI PHOTO FILM CO., LTD. (JP) 1985-09-17 US disclosed
US-4427768-A N-ACYLOXY-SUBSTITUTED NITROGEN COMPOUNDS, SILVER HALIDE PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1984-01-24 US disclosed
US-4052373-A O-AMINOESTER FUJI PHOTO FILM CO., LTD. (JA) 1977-10-04 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 CES2 1392/4885CES1 1119/4885ALDH1A1 565/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 CES2 3184/4885CES1 2702/4885ALDH1A1 2295/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 CES2 3247/4885CES1 2557/4885ALDH1A1 1814/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CES2 2426/4885CES1 447/4885ALDH1A1 265/4885

“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.