SCHEMBL2552560

SCHEMBL2552560

NC(CO)CCSCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
EPHX1 P07099 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
HTT P42858 1/20 0.41
IDO1 P14902 3/20 0.40
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 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
SCHEMBL7300123 1.00 CYP2C19 (0.49) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7306770 0.90 CYP2C19 (0.46) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2553408 0.90 CYP2C19 (0.46) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7303931 0.83 CYP2D6 (0.53) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5682810 0.82 ANPEP (0.53) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1168400 0.81 EPHX1 (0.43) CYP2C19CYP1A2CYP3A4CYP2D6EPHX1
SCHEMBL2549520 0.81 EPHX1 (0.43) CYP2C19CYP1A2CYP3A4CYP2D6EPHX1
SCHEMBL7114970 0.81 EPHX1 (0.43) CYP2C19CYP1A2CYP3A4CYP2D6EPHX1
SCHEMBL7347761 0.81 CYP2C19 (0.57) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL11535678 0.81 CYP2C19 (0.43) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845299-B2 Process for the preparation of a fluorolacton derivative GILEAD PHARMASSET LLC (US) 2017-12-19 US disclosed
US-20170183317-A1 PROCESS FOR THE PREPARATION OF A FLUOROLACTION DERIVATIVE GILEAD SCIENCES, INC. 2017-06-29 US disclosed
EP-2556052-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS Sumitomo Chemical Company, Limited (JP) 2013-02-13 EP disclosed
EP-2556051-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS Sumitomo Chemical Company, Limited (JP) 2013-02-13 EP disclosed
US-20130035506-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-07 US disclosed
US-20130023696-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-24 US disclosed
CN-102834376-A Process for producing sulfur-containing amino acids SUMITOMO CHEMICAL CORP 2012-12-19 CN disclosed
CN-102822146-A Process for producing sulfur-containing amino acids SUMITOMO CHEMICAL CO 2012-12-12 CN disclosed
WO-2011126130-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-13 WO disclosed
WO-2011126129-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-13 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 (3 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-20130035506-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS AADAT, BCAT2, CBS CYP2C19 2894/4885CYP1A2 882/4885CYP3A4 1202/4885
US-20130023696-A1 PROCESS FOR PRODUCING SULFUR-CONTAINING AMINO ACIDS CBS, CTH, BCAT2 CYP2C19 2967/4885CYP1A2 664/4885CYP3A4 1287/4885
US-20170183317-A1 PROCESS FOR THE PREPARATION OF A FLUOROLACTION DERIVATIVE CYP3A5, CYP2F1, CYP7A1 CYP2C19 57/4885CYP1A2 47/4885CYP3A4 8/4885

“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.