SCHEMBL2976178

SCHEMBL2976178

CCCS(=O)(=O)c1nnnn1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.69
LMNA P02545 8/20 0.69
TP53 P04637 6/20 0.69
HTT P42858 6/20 0.69
NPSR1 Q6W5P4 4/20 0.69
HPGD P15428 4/20 0.69
HSD17B10 Q99714 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
KMT2A Q03164 3/20 0.69
S1PR4 O95977 2/20 0.69
S1PR1 P21453 2/20 0.69
RAB9A P51151 2/20 0.69
MAPK1 P28482 2/20 0.69
MAPT P10636 7/20 0.68
PTPRB P23467 1/20 0.46
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
PTGS2 P35354 1/20 0.43
GFER P55789 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL2966537 0.91 ALDH1A1 (0.64) ALDH1A1LMNATP53HTTNPSR1
SCHEMBL17511740 0.90 ALDH1A1 (0.63) ALDH1A1LMNATP53HTTNPSR1
SCHEMBL2978401 0.89 ALDH1A1 (0.71) ALDH1A1LMNATP53HTTNPSR1
SCHEMBL16218976 0.88 ALDH1A1 (0.61) ALDH1A1LMNATP53HTTNPSR1
SCHEMBL28102527 0.88 ALDH1A1 (0.61) ALDH1A1LMNATP53HTTNPSR1
SCHEMBL1980247 0.88 ALDH1A1 (0.61) ALDH1A1LMNATP53HTTNPSR1
SCHEMBL18686907 0.84 ALDH1A1 (0.65) ALDH1A1LMNATP53HTTNPSR1
SCHEMBL21467681 0.82 ALDH1A1 (1.00) ALDH1A1LMNATP53HTTNPSR1
SCHEMBL27842842 0.82 ALDH1A1 (0.64) ALDH1A1LMNATP53HTTNPSR1
SCHEMBL31642640 0.81 ALDH1A1 (0.69) ALDH1A1LMNATP53HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505733-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-29 US disclosed
US-9505733-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-29 US disclosed
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-22 US disclosed
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-22 US disclosed
US-9073887-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-07 US disclosed
US-9073887-B2 Single step enantioselective process for the preparation of 3-substituted chiral phthalides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-07-07 US disclosed
US-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-06 US disclosed
US-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-11-06 US disclosed
WO-2013072830-A1 A SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-05-23 WO disclosed
US-7767854-B2 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-03 US disclosed
US-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-26 US disclosed
EP-1884510-A1 N-SUBSTITUTED PHENYLACETAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-02-06 EP 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-20140330027-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 ALDH1A1 406/4885LMNA 2962/4885TP53 3278/4885
US-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same HRH4, HRH2, CNR2 ALDH1A1 321/4885LMNA 3880/4885TP53 2233/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 ALDH1A1 406/4885LMNA 2962/4885TP53 3278/4885

“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.