SCHEMBL20177090

SCHEMBL20177090

N#CCSC(=S)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 4/20 0.45
TAS2R38 P59533 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 4/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
TP53 P04637 1/20 0.42
TYR P14679 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAOA P21397 2/20 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
SCHEMBL23112205 0.83 PHGDH (0.52) PHGDHSMN1; SMN2ALDH1A1HSD17B10TAS2R38
SCHEMBL30871888 0.77 SMN1; SMN2 (0.40) PHGDHSMN1; SMN2ALDH1A1HSD17B10CYP3A4
SCHEMBL3723780 0.76 PHGDH (0.61) PHGDHSMN1; SMN2ALDH1A1HSD17B10TAS2R38
SCHEMBL28364765 0.75 SMN1; SMN2 (0.49) PHGDHSMN1; SMN2ALDH1A1HSD17B10MAPT
SCHEMBL21753955 0.74 PHGDH (0.59) PHGDHSMN1; SMN2ALDH1A1HSD17B10TAS2R38
SCHEMBL7784610 0.74 PHGDH (0.59) PHGDHALDH1A1HSD17B10TAS2R38CYP3A4
SCHEMBL28501426 0.74 PHGDH (0.59) PHGDHSMN1; SMN2ALDH1A1HSD17B10TAS2R38
SCHEMBL3075966 0.74 PHGDH (0.77) PHGDHSMN1; SMN2ALDH1A1HSD17B10TAS2R38
SCHEMBL2702341 0.73 PHGDH (0.57) PHGDHSMN1; SMN2ALDH1A1HSD17B10TAS2R38
SCHEMBL27267591 0.73 PHGDH (0.57) PHGDHSMN1; SMN2ALDH1A1HSD17B10TAS2R38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167982-B Block copolymer and method for producing block copolymer 电化株式会社 2022-10-04 CN disclosed
US-20180141912-A1 VERSATILE RAFT AGENT COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-05-24 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-20180141912-A1 VERSATILE RAFT AGENT CNKSR1, CNR2, CNR1 PHGDH 4855/4885SMN1; SMN2 1810/4885ALDH1A1 1350/4885

“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.