SCHEMBL245758

SCHEMBL245758

COC(=O)C(CC(C)C)NC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
TAS1R3 Q7RTX0 9/20 0.54
TAS1R1 Q7RTX1 9/20 0.54
BIRC2 Q13490 1/20 0.51
POLB P06746 1/20 0.51
FOLH1 Q04609 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47

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
SCHEMBL5812880 1.00 ALDH1A1 (0.64) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL11316551 1.00 ALDH1A1 (0.64) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL24178319 0.93 BIRC2 (0.57) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL5808681 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL21488669 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL5813379 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL5813383 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL10795132 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL15435453 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB
SCHEMBL5808683 0.84 ALDH1A1 (0.60) ALDH1A1TAS1R3TAS1R1BIRC2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
US-4259441-A Process for resolving D, L-leucine ETHYL CORPORATION (US) 1981-03-31 US claimed
US-11008287-B2 Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine EPICENTRX, INC. (US) 2021-05-18 US disclosed
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE EPICENTRX, INC. 2020-05-21 US disclosed
US-10414864-B2 Degradable amino acid-based poly (ester urea) copolymer adhesives THE UNIVERSITY OF AKRON (US) 2019-09-17 US disclosed
US-20170210852-A1 DEGRADABLE AMINO ACID-BASED POLY (ESTER UREA) COPOLYMER ADHESIVES THE UNIVERSITY OF AKRON (US) 2017-07-27 US disclosed
US-9468625-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2016-10-18 US disclosed
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. 2016-03-24 US disclosed
US-9139519-B2 Organonitro thioether compounds and medical uses thereof EPICENTRX, INC. (US) 2015-09-22 US disclosed
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF RADIORX, INC. (US) 2014-11-27 US disclosed
US-5532395-A HYDROGENATION CATALYSTS ) E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-07-02 US disclosed
US-5386061-A Reacting a bis(primary phosphine in the presence of a strong base with a cyclic sulfate; cyclization E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-31 US disclosed
US-5329015-A Catalysts for stereospecific reactions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-12 US disclosed
EP-0592552-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES. DU PONT (US) 1994-04-20 EP disclosed
WO-1993001199-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-21 WO disclosed
US-5171892-A Chiral phospholanes via chiral 1,4-diol cyclic sulfates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-15 US disclosed
US-4670395-A Enantioselective hydrolysis of N-acylamino acid esters using a combined enzyme system THE STANDARD OIL COMPANY (US) 1987-06-02 US disclosed
US-4259441-A Process for resolving D, L-leucine ETHYL CORPORATION (US) 1981-03-31 US disclosed
US-RE29843-E Substituted thiazoles and flavoring processes and products produced thereby INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 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 (6 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-20170210852-A1 DEGRADABLE AMINO ACID-BASED POLY (ESTER UREA) COPOLYMER ADHESIVES PNMT, UBE3A, PCNA ALDH1A1 676/4885TAS1R3 3044/4885TAS1R1 3077/4885
US-11008287-B2 Sulfoxyalkyl organonitro and related compounds and pharmaceutical compounds for use in medicine AS3MT, SLC10A6, SLCO1B3 ALDH1A1 2681/4885TAS1R3 479/4885TAS1R1 825/4885
US-20200157047-A1 SULFOXYALKYL ORGANONITRO AND RELATED COMPOUNDS AND PHARMACEUTICAL COMPOUNDS FOR USE IN MEDICINE AS3MT, SLC10A6, SLCO1B3 ALDH1A1 2681/4885TAS1R3 479/4885TAS1R1 825/4885
US-20140349988-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, SLCO2A1, SLCO2B1 ALDH1A1 1453/4885TAS1R3 801/4885TAS1R1 1177/4885
US-20160081981-A1 ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF SLC22A8, XPOT, NPM1 ALDH1A1 2447/4885TAS1R3 555/4885TAS1R1 1229/4885
US-10414864-B2 Degradable amino acid-based poly (ester urea) copolymer adhesives PNMT, UBE3A, PCNA ALDH1A1 676/4885TAS1R3 3044/4885TAS1R1 3077/4885

“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.