SCHEMBL158365

SCHEMBL158365

O=C(O)c1cc2c(c(S(=O)(=O)O)c1)CNCC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
PNMT P11086 6/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGS1 P23219 1/20 0.32

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
SCHEMBL24913898 0.77 TTR (0.43) PNMTKDM4EMAPTALDH1A1
SCHEMBL3243586 0.72 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
SCHEMBL1026913 0.68 ALDH1A1 (0.59) PNMTADRA2AADRA2BADRA2CKDM4E
SCHEMBL30428318 0.68 ALDH1A1 (0.59) PNMTKDM4EMAPTALDH1A1
SCHEMBL29589725 0.68 ALDH1A1 (0.59) PNMTADRA2AADRA2BADRA2CKDM4E
SCHEMBL1026101 0.68 ALDH1A1 (0.59) PNMTKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL15671006 0.67 ALDH1A1 (0.58) PNMTADRA2AADRA2BADRA2CKDM4E
Hydrochloric Acid SCHEMBL22654009 0.67 ALDH1A1 (0.58) PNMTKDM4EMAPTALDH1A1
SCHEMBL29657239 0.66 LCK (0.56) LCKFYNKDM4EMAPTALDH1A1
SCHEMBL3841219 0.66 LCK (0.56) LCKFYNKDM4EMAPTALDH1A1

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-9777320-B2 Molecular adaptors for dye conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-10-03 US disclosed
US-9777320-B2 Molecular adaptors for dye conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-10-03 US disclosed
US-20120058473-A1 Molecular Adaptors for Dye Conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 US disclosed
US-20120058473-A1 Molecular Adaptors for Dye Conjugates PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-08 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 (1 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-20120058473-A1 Molecular Adaptors for Dye Conjugates ALKBH1, ALKBH5, ALKBH3 LCK 700/4885FYN 1412/4885PNMT 1241/4885

“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.