SCHEMBL20173448

SCHEMBL20173448

O=C(Cl)CSC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 4/20 0.41
POLB P06746 3/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MDM2 Q00987 1/20 0.33
GBA1 P04062 2/20 0.33
SLC2A1 P11166 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3699223 0.98 ALDH1A1 (0.41) ALDH1A1HPGDL3MBTL1RAB9APOLB
SCHEMBL24564744 0.79 KMT2A (0.46) ALDH1A1HPGDL3MBTL1RAB9APOLB
SCHEMBL1200818 0.79 KMT2A (0.46) ALDH1A1HPGDL3MBTL1RAB9APOLB
SCHEMBL6701787 0.78 ALDH1A1 (0.41) ALDH1A1HPGDL3MBTL1RAB9APOLB
SCHEMBL13934134 0.77 ALDH1A1 (0.47) ALDH1A1HPGDL3MBTL1RAB9APOLB
SCHEMBL11266483 0.77 ALDH1A1 (0.44) ALDH1A1HPGDL3MBTL1RAB9APOLB
SCHEMBL3706423 0.76 KMT2A (0.43) ALDH1A1HPGDL3MBTL1RAB9APOLB
SCHEMBL979441 0.74 ALDH1A1 (0.45) ALDH1A1HPGDL3MBTL1RAB9APOLB
SCHEMBL8425536 0.71 ALDH1A1 (0.42) ALDH1A1HPGDL3MBTL1RAB9APOLB
SCHEMBL15936611 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20180141966-A1 CHIRAL SPIRO PHOSPHORUS-NIROGEN-SULPHUR TRIDENTATE LIGAND, PREPARATION METHOD AND APPLICATION THEREOF TST, SPR, ROR1 ALDH1A1 374/4885HPGD 584/4885L3MBTL1 4775/4885

“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.