SCHEMBL4514495

SCHEMBL4514495

COc1ccc(SCC(=O)Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
TP53 P04637 1/20 0.55
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 1/20 0.55
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
MAPT P10636 5/20 0.51
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 4/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
APP P05067 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL4255888 0.83 ALDH1A1 (0.72) NPC1TP53KDM4EKMT2AMTNR1A
SCHEMBL11986271 0.83 MTNR1A (0.58) NPC1TP53KDM4EKMT2AMTNR1A
SCHEMBL3890957 0.83 MTNR1A (0.58) NPC1TP53KDM4EKMT2AMTNR1A
SCHEMBL11986376 0.83 ALDH1A1 (0.72) NPC1TP53KDM4EKMT2AMTNR1A
SCHEMBL11210449 0.81 SMN1; SMN2 (0.59) NPC1TP53KDM4EKMT2AMTNR1A
SCHEMBL10969281 0.81 NPC1 (0.55) NPC1TP53KDM4EKMT2AMTNR1A
SCHEMBL10963231 0.81 KDM4E (0.48) NPC1TP53KDM4EKMT2AMTNR1A
SCHEMBL6084825 0.80 NPC1 (0.54) NPC1TP53KDM4EKMT2AMTNR1A
SCHEMBL7769542 0.80 HDAC3 (0.65) NPC1KMT2AMAPTALDH1A1RAB9A
SCHEMBL27562982 0.80 MTNR1A (0.57) NPC1MTNR1AMTNR1BMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3296302-B1 CHIRAL SPIRO PHOSPHORUS-NITROGEN-SULPHUR TRIDENTATE LIGAND, AND PREPARATION METHOD AND APPLICATION THEREOF ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2020-02-12 EP disclosed
US-10550138-B2 Chiral spiro phosphorus-nirogen-sulphur tridentate ligand, preparation method and application thereof ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2020-02-04 US disclosed
US-20180141966-A1 CHIRAL SPIRO PHOSPHORUS-NIROGEN-SULPHUR TRIDENTATE LIGAND, PREPARATION METHOD AND APPLICATION THEREOF ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2018-05-24 US disclosed
EP-3296302-A1 CHIRAL SPIRO PHOSPHORUS-NITROGEN-SULPHUR TRIDENTATE LIGAND, AND PREPARATION METHOD AND APPLICATION THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2018-03-21 EP disclosed
US-20090298889-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 2-PYRIDONE DERIVATIVES AS EFFECTIVE COMPONENTS SATO PHARMACEUTICAL CO., LTD. (JP) 2009-12-03 US disclosed
EP-1897870-A1 PHARMACEUTICAL COMPOSITION COMPRISING 2-PYRIDONE DERIVATIVE AS ACTIVE INGREDIENT Sato Pharmaceutical Co. Ltd. (JP) 2008-03-12 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 (3 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-20090298889-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING 2-PYRIDONE DERIVATIVES AS EFFECTIVE COMPONENTS LTB4R2, LTB4R, CD4 NPC1 3686/4885TP53 2977/4885KDM4E 3049/4885
US-20180141966-A1 CHIRAL SPIRO PHOSPHORUS-NIROGEN-SULPHUR TRIDENTATE LIGAND, PREPARATION METHOD AND APPLICATION THEREOF TST, SPR, ROR1 NPC1 3134/4885TP53 3403/4885KDM4E 3377/4885
US-10550138-B2 Chiral spiro phosphorus-nirogen-sulphur tridentate ligand, preparation method and application thereof TST, SPR, ROR1 NPC1 3134/4885TP53 3403/4885KDM4E 3377/4885

“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.