SCHEMBL15948624

SCHEMBL15948624

CCSCCC(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.46
HSD17B10 Q99714 2/20 0.42
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA4 P43681 1/20 0.38
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLA P06280 1/20 0.33
HTT P42858 1/20 0.31
CCR2 P41597 1/20 0.30

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
SCHEMBL25071645 0.86 TSHR (0.59) ALDH1A1HPGDTSHRHSD17B10CHRNB2
SCHEMBL9516370 0.85 ALDH1A1 (0.52) ALDH1A1HPGDTSHRHSD17B10CHRNB2
SCHEMBL18470038 0.84 ALDH1A1 (0.57) ALDH1A1HPGDTSHRHSD17B10CHRNB2
SCHEMBL15948527 0.82 ALDH1A1 (0.45) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL15948654 0.79 ALDH1A1 (0.57) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL13901839 0.79 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10CHRNB2CHRNB4
SCHEMBL19287907 0.79 ALDH1A1 (0.42) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL16137273 0.79 ALDH1A1 (0.57) ALDH1A1HPGDTSHRHSD17B10LMNA
SCHEMBL1106823 0.77 CYP2D6 (0.46) ALDH1A1HPGDHSD17B10CHRNB2CHRNB4
SCHEMBL8613878 0.77 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSD17B10CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3255129-B1 THIOL-CARBOXYLIC ADDUCTS AS LUBRICATING ADDITIVES LUBRIZOL CORP (US) 2024-01-24 EP disclosed
US-10961481-B2 Thiol-carboxylic adducts as lubricating additives THE LUBRIZOL CORPORATION (US) 2021-03-30 US disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
US-10029020-B2 Fullerene compositions UNIVERSITEIT GENT (BE) 2018-07-24 US disclosed
US-20180133344-A1 FULLERENE COMPOSITIONS UNIVERSITEIT GENT (BE) 2018-05-17 US disclosed
US-20170349852-A1 THIOL-CARBOXYLIC ADDUCTS AS LUBRICATING ADDITIVES THE LUBRIZOL CORPORATION 2017-12-07 US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 US disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 US disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 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 (7 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885HPGD 1632/4885TSHR 3596/4885
US-10029020-B2 Fullerene compositions NCL, PNN, ANXA3 ALDH1A1 4558/4885HPGD 3351/4885TSHR 4546/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 ALDH1A1 2289/4885HPGD 1071/4885TSHR 3598/4885
US-20180133344-A1 FULLERENE COMPOSITIONS NCL, PNN, ANXA3 ALDH1A1 4558/4885HPGD 3351/4885TSHR 4546/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885HPGD 1632/4885TSHR 3596/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885HPGD 1632/4885TSHR 3596/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885HPGD 1632/4885TSHR 3596/4885

“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.