SCHEMBL6493349

SCHEMBL6493349

COC(=O)c1ccc(SC)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
GAA P10253 2/20 0.43
VCAM1 P19320 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
DTYMK P23919 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL2514663 0.88 SIRT6 (0.53) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8490674 0.84 ALDH1A1 (0.50) GAAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27623399 0.83 GABRA1 (0.43) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL6493412 0.83 DTYMK (0.57) MAPTTRPV1DTYMKALDH1A1MEN1
SCHEMBL7167920 0.81 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9ATRPV1
SCHEMBL6979136 0.81 GAA (0.60) GAAMAPTSMN1; SMN2NPC1TRPV1
SCHEMBL18435 0.80 CA12 (0.59) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30525281 0.80 VCAM1 (0.64) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6960199 0.80 KDM4E (0.55) FLT1KDRMAPTSMN1; SMN2KDM4E
SCHEMBL2721649 0.80 TSHR (0.55) SIRT6PDGFRBFGFR1PDGFRAFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864268-B2 β3 adrenergic receptor agonists PFIZER INC. (US) 2005-03-08 US disclosed
US-20030225068-A1 Piperidyindoles as serotonin receptor ligands ELI LILLY AND COMPANY 2003-12-04 US disclosed
EP-0162723-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-29 EP disclosed
US-4981509-A Plant growth regulators E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-01 US disclosed
US-4871847-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-03 US disclosed
US-4849010-A Herbicidal sulfonamides E. I. DUPONT DE NEMOURS AND COMPANY (US) 1989-07-18 US disclosed
US-4724039-A RICE CROP E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-02-09 US disclosed
US-4710221-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-01 US disclosed
EP-0162723-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-27 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 (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-20030225068-A1 Piperidyindoles as serotonin receptor ligands CNR1, HTR1D, HTR1A SIRT6 1382/4885PDGFRB 178/4885FGFR1 2935/4885

“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.