SCHEMBL3479937

SCHEMBL3479937

CS(=O)(=O)O.N=C1OCCN1c1ccc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)cc1

nearest known ligand 0.78

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 known ✓ P00734 2/20 0.69
F10 P00742 20/20 0.78
ABCB11 O95342 1/20 0.69
ST14 Q9Y5Y6 1/20 0.69

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
SCHEMBL1023222 0.95 F10 (0.85) F10F2ABCB11ST14
SCHEMBL3479842 0.95 F10 (0.70) F10F2ABCB11ST14
Hydrochloric Acid SCHEMBL1025286 0.95 F10 (0.84) F10F2ABCB11ST14
Trifluoroacetic Acid SCHEMBL1023840 0.90 F10 (0.77) F10F2ABCB11ST14
SCHEMBL8236763 0.90 F10 (0.76) F10F2ABCB11ST14
SCHEMBL87006 0.88 F10 (1.00) F10F2ABCB11ST14
SCHEMBL79715 0.83 F10 (1.00) F10F2ABCB11ST14
SCHEMBL15247387 0.83 F10 (0.80) F10F2ABCB11ST14
SCHEMBL8211115 0.83 F10 (0.89) F10F2ABCB11ST14
SCHEMBL13698654 0.82 F10 (0.78) F10F2ABCB11ST14

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-20100041646-A1 Phenylene-Bis-Oxazolidine Derivatives and Their Use as Anticoagulants BAYER HEALTHCARE AG (DE) 2010-02-18 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-20100041646-A1 Phenylene-Bis-Oxazolidine Derivatives and Their Use as Anticoagulants SELP, SERPINC1, F2 F2 3/4885F10 346/4885ABCB11 510/4885

“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.