SCHEMBL3083780

SCHEMBL3083780

CCOC(=O)CCCN=C=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
NAAA Q02083 1/20 0.44
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
PTGS2 P35354 2/20 0.41
NR1I2 O75469 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PDE4D Q08499 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MIF P14174 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9706316 0.95 CYP1A2 (0.48) CYP1A2NAAAKEAP1NFE2L2PTGS2
SCHEMBL1457047 0.89 CYP1A2 (0.44) CYP1A2NAAAKEAP1NFE2L2PTGS2
SCHEMBL49063 0.83 CYP1A2 (0.52) CYP1A2PTGS2NR1I2PGRADORA3
SCHEMBL13664664 0.81 TSHR (0.54) NAAAKEAP1NFE2L2PTGS2MIF
Bromide SCHEMBL18889105 0.80 CYP1A2 (0.36) CYP1A2NAAAKEAP1NFE2L2PTGS2
SCHEMBL13144471 0.79 CYP1A2 (0.55) CYP1A2PTGS2NR1I2PGRADORA3
SCHEMBL8851842 0.79 CYP1A2 (0.55) CYP1A2PTGS2NR1I2PGRADORA3
Bromide SCHEMBL18889143 0.77 CYP1A2 (0.35) CYP1A2NAAAMGAMGAASI
SCHEMBL11260906 0.76 CYP1A2 (0.48) CYP1A2PTGS2NR1I2PGRADORA3
SCHEMBL1201485 0.76 CYP1A2 (0.48) CYP1A2PTGS2NR1I2PGRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240339-A1 COMPOSITIONS AND METHODS TO PROMOTE THYMIC FUNCTION Fred Hutchinson Cancer Center (US) 2023-09-13 EP disclosed
US-20230263800-A1 COMPOSITIONS AND METHODS TO PROMOTE THYMIC FUNCTION FRED HUTCHINSON CANCER CENTER (US) 2023-08-24 US disclosed
WO-2022098776-A1 COMPOSITIONS AND METHODS TO PROMOTE THYMIC FUNCTION FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2022-05-12 WO disclosed
US-20210113573-A1 COMPOSITIONS AND METHODS TO PROMOTE THYMIC REGENERATION FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2021-04-22 US disclosed
US-10556878-B2 Thiourea compounds and their use as inhibitors of Sirt2 or Sirt5 CORNELL UNIVERSITY (US) 2020-02-11 US disclosed
US-20160130246-A1 THIOUREA COMPOUNDS AND THEIR USE AS INHIBITORS OF SIRT2 OR SIRT5 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-05-12 US disclosed
US-20160130246-A1 THIOUREA COMPOUNDS AND THEIR USE AS INHIBITORS OF SIRT2 OR SIRT5 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-05-12 US disclosed
US-20160120945-A1 Thymic Regeneration THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-05-05 US disclosed
EP-2956545-A1 THYMIC REGENERATION JOSLIN DIABETES CENTER (US) 2015-12-23 EP disclosed
WO-2014127198-A1 THYMIC REGENERATION JOSLIN DIABETES CENTER (US) 2014-08-21 WO disclosed
US-7795255-B2 Rigidified compounds for modulating heparanase activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2010-09-14 US disclosed
US-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2008-02-14 US disclosed
EP-1846383-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY Insight Biopharmaceuticals Ltd. (IL) 2007-10-24 EP disclosed
WO-2006072953-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2006-07-13 WO disclosed
EP-1149106-B1 4,5-AZOLO-OXINDOLES HOFFMANN LA ROCHE (CH) 2003-03-19 EP disclosed
EP-1149106-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6197804-B1 KINASE INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-03-06 US disclosed
US-6153634-A FOR THERAPY AND PROPHYLAXIS OF CANCER TUMORS; INHIBITOR OFCYCLIN-DEPENDENT KINASES (CDKS) HOFFMANN-LA ROCHE INC. (US) 2000-11-28 US disclosed
WO-2000035920-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
WO-1992013530-A1 TRANSGLUTAMINASE ENZYME INHIBITORS MEDICIS CORPORATION (US) 1992-08-20 WO 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 (5 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-20210113573-A1 COMPOSITIONS AND METHODS TO PROMOTE THYMIC REGENERATION BMP4, NOD2, BMP2 CYP1A2 4746/4885NAAA 4720/4885KEAP1 3593/4885
US-20160130246-A1 THIOUREA COMPOUNDS AND THEIR USE AS INHIBITORS OF SIRT2 OR SIRT5 SIRT2, SIRT3, SIRT1 CYP1A2 848/4885NAAA 2128/4885KEAP1 729/4885
US-20230263800-A1 COMPOSITIONS AND METHODS TO PROMOTE THYMIC FUNCTION BMP4, P2RY2, GPR39 CYP1A2 4213/4885NAAA 4611/4885KEAP1 4389/4885
US-10556878-B2 Thiourea compounds and their use as inhibitors of Sirt2 or Sirt5 SIRT2, SIRT3, SIRT1 CYP1A2 848/4885NAAA 2128/4885KEAP1 729/4885
US-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity HPSE, HEXA, GAA CYP1A2 3723/4885NAAA 1643/4885KEAP1 2213/4885

“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.