SCHEMBL9927214

SCHEMBL9927214

COC(=O)N(SC)C(C)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.49
▸ BCHE P06276 4/20 0.48
▸ ACHE P22303 4/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPY5R Q15761 2/20 0.46
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL23124022 0.84 NPY5R (0.58) CTRB1BCHEACHENPC1RAB9A
SCHEMBL9039372 0.79 NPC1 (0.47) CTRB1BCHEACHENPC1RAB9A
SCHEMBL18944040 0.72 ABCB1 (0.59) BCHEACHENPY5RADRA2BADRA2C
SCHEMBL2721341 0.71 CTRB1 (0.45) CTRB1NPC1RAB9AALDH1A1
SCHEMBL7415557 0.71 CTRB1 (0.45) CTRB1NPC1RAB9AALDH1A1
SCHEMBL12050814 0.71 BCHE (0.53) BCHEACHENPY5RADRA2BADRA2C
SCHEMBL23303475 0.70 MAPK1 (0.48) CTRB1NPC1RAB9ANPY5RALDH1A1
SCHEMBL23303478 0.70 MAPK1 (0.48) CTRB1NPC1RAB9ANPY5RALDH1A1
SCHEMBL517463 0.69 ALDH1A1 (0.60) NPC1RAB9AALDH1A1THRBCYP2C9
SCHEMBL2600694 0.69 ALDH1A1 (0.60) NPC1RAB9AALDH1A1THRBCYP2C9

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-20120149911-A1 DERIVATIVE N-THIOLATED 2-OXAZOLIDINONE ANTIBIOTICS UNIVERSITY OF SOUTH FLORIDA (US) 2012-06-14 — — 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-20120149911-A1 DERIVATIVE N-THIOLATED 2-OXAZOLIDINONE ANTIBIOTICS TST, NRDC, NUCB2 CTRB1 3989/4885BCHE 3840/4885ACHE 3672/4885

“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.

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