SCHEMBL16218976

SCHEMBL16218976

CCCCCCS(=O)(=O)c1nnnn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.61
MAPT P10636 7/20 0.61
LMNA P02545 7/20 0.61
HTT P42858 6/20 0.61
TP53 P04637 5/20 0.61
HPGD P15428 4/20 0.61
HSD17B10 Q99714 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
S1PR4 O95977 2/20 0.56
S1PR1 P21453 2/20 0.56
MAPK1 P28482 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
PTPRB P23467 1/20 0.48
GFER P55789 1/20 0.40
PTGS2 P35354 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL28102527 1.00 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL1980247 1.00 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL17511740 0.99 ALDH1A1 (0.63) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL2966537 0.94 ALDH1A1 (0.64) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL2976178 0.88 ALDH1A1 (0.69) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL15664687 0.86 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL1975310 0.86 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL1976898 0.86 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL15679447 0.85 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL15664141 0.85 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHTTTP53

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 4 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 406/4885MAPT 2273/4885LMNA 2962/4885
US-20150299154-A1 SINGLE STEP ENANTIOSELECTIVE PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED CHIRAL PHTHALIDES PPOX, NFE2L2, CBR1 ALDH1A1 406/4885MAPT 2273/4885LMNA 2962/4885

“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.