SCHEMBL20697998

SCHEMBL20697998

Nc1ccc(S/C=C/C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
ALDH1A1 P00352 8/20 0.47
LMNA P02545 5/20 0.47
NPSR1 Q6W5P4 4/20 0.47
HPGD P15428 3/20 0.47
HTT P42858 2/20 0.47
PLIN1 O60240 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL600479 0.81 ALDH1A1 (0.68) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL9330897 0.81 ALDH1A1 (0.68) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL600478 0.81 ALDH1A1 (0.68) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL6947763 0.80 MAPT (0.62) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL22701981 0.80 ALDH1A1 (0.47) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL6944654 0.80 ALDH1A1 (0.47) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL6948401 0.80 ALDH1A1 (0.67) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL6944659 0.80 ALDH1A1 (0.47) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL6948405 0.80 ALDH1A1 (0.67) MAPTALDH1A1LMNANPSR1HPGD
SCHEMBL6947760 0.80 MAPT (0.62) MAPTALDH1A1LMNANPSR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149034-B2 Derivatives of luciferin and methods for their synthesis UNIVERSITY OF CAPE TOWN (ZA) 2021-10-19 US disclosed
US-20200331902-A1 DERIVATIVES OF LUCIFERIN AND METHODS FOR THEIR SYNTHESIS UNIVERSITY OF CAPE TOWN (ZA) 2020-10-22 US disclosed
WO-2019021202-A1 DERIVATIVES OF LUCIFERIN AND METHODS FOR THEIR SYNTHESIS UNIVERSITY OF CAPE TOWN (ZA) 2019-01-31 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 (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-20200331902-A1 DERIVATIVES OF LUCIFERIN AND METHODS FOR THEIR SYNTHESIS GLB1, DBNL, GLO1 MAPT 3781/4885ALDH1A1 747/4885LMNA 1623/4885
US-11149034-B2 Derivatives of luciferin and methods for their synthesis GLB1, DBNL, GLO1 MAPT 3781/4885ALDH1A1 747/4885LMNA 1623/4885

“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.