SCHEMBL2966537

SCHEMBL2966537

CCCCS(=O)(=O)c1nnnn1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.64
MAPT P10636 9/20 0.64
LMNA P02545 7/20 0.64
HTT P42858 7/20 0.64
TP53 P04637 5/20 0.64
NPSR1 Q6W5P4 4/20 0.64
HPGD P15428 4/20 0.64
HSD17B10 Q99714 3/20 0.64
KMT2A Q03164 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
S1PR4 O95977 2/20 0.59
S1PR1 P21453 2/20 0.59
RAB9A P51151 2/20 0.59
MAPK1 P28482 2/20 0.59
PTPRB P23467 1/20 0.49
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
GFER P55789 1/20 0.42
PTGS2 P35354 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL17511740 0.96 ALDH1A1 (0.63) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL1980247 0.94 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL28102527 0.94 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL16218976 0.94 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL2976178 0.91 ALDH1A1 (0.69) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL2978401 0.86 ALDH1A1 (0.71) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL27842842 0.85 ALDH1A1 (0.64) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL15664687 0.83 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL1975310 0.83 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTTP53
SCHEMBL1976898 0.83 ALDH1A1 (0.61) 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701373-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-18 US disclosed
US-11701373-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-18 US disclosed
US-11701373-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-18 US disclosed
US-20220331346-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-10-20 US disclosed
US-11058696-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US disclosed
US-11058696-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US disclosed
EP-3183242-B1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-05-19 EP disclosed
EP-3183242-B1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-05-19 EP disclosed
US-20200281952-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-20200281952-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-9522888-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-20 US disclosed
US-9522888-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-20 US disclosed
US-9522888-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-20 US disclosed
US-20160052888-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2016-02-25 US disclosed
WO-2016028959-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-25 WO disclosed
US-8933195-B2 Histone deacetylase inhibitors and synthetic method thereof and use thereof in manufacture of medicaments NANJING YOKO BIOMEDICAL R & D LTD. (CN) 2015-01-13 US disclosed
US-20140243501-A1 HISTONE DEACETYLASE INHIBITORS AND SYNTHETIC METHOD THEREOF AND USE THEREOF IN MANUFACTURE OF MEDICAMENTS NANJING YOKO BIOMEDICAL R & D LTD. [CN/CN] (CN) 2014-08-28 US 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 (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-20160052888-A1 SUBSTITUTED BICYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 ALDH1A1 1696/4885MAPT 4700/4885LMNA 2847/4885
US-20200281952-A1 SUBSTITUTED BICYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 ALDH1A1 1696/4885MAPT 4700/4885LMNA 2847/4885
US-20220331346-A1 SUBSTITUTED BICYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 ALDH1A1 1696/4885MAPT 4700/4885LMNA 2847/4885
US-20090082463-A1 N-substituted phenylacetamide derivative and pharmaceutical composition containing the same HRH4, HRH2, CNR2 ALDH1A1 321/4885MAPT 1590/4885LMNA 3880/4885
US-11701373-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 ALDH1A1 1696/4885MAPT 4700/4885LMNA 2847/4885
US-11058696-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 ALDH1A1 1696/4885MAPT 4700/4885LMNA 2847/4885
US-20140243501-A1 HISTONE DEACETYLASE INHIBITORS AND SYNTHETIC METHOD THEREOF AND USE THEREOF IN MANUFACTURE OF MEDICAMENTS HDAC1, HDAC11, HDAC2 ALDH1A1 472/4885MAPT 4020/4885LMNA 1949/4885

“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.