SCHEMBL6139630

SCHEMBL6139630

CSC(=CC(=O)c1ccc(F)cc1)SC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
TNFRSF1A P19438 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
MDM2 Q00987 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 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
SCHEMBL28474124 0.82 MEN1 (0.74) MAPTMEN1KMT2ACA1CA2
SCHEMBL6139623 0.82 MAPT (0.69) MAPTMEN1KMT2ACES2CES1
SCHEMBL9210472 0.80 MAPT (0.67) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6218138 0.80 MAPT (0.67) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL9619495 0.79 MAPT (0.66) MAPTMEN1KMT2ACES2CES1
SCHEMBL5931364 0.79 MEN1 (1.00) MAPTMEN1KMT2ATNFRSF1AALDH1A1
SCHEMBL19024320 0.79 MAPT (0.66) MAPTCYP1A2CYP2C19TNFRSF1ACES2
SCHEMBL6215505 0.78 MAPT (0.64) MAPTMEN1KMT2ACES2CES1
SCHEMBL6139674 0.78 MAPT (0.63) MAPTMEN1KMT2ACYP1A2CYP2C19
SCHEMBL6139673 0.78 MAPT (0.63) MAPTMEN1KMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458717-B1 AROYL PYRIDINONES BAYER HEALTHCARE AG (DE) 2005-09-07 EP disclosed
US-20050070555-A1 Aroyl pyridinones BAYER HEALTHCARE AG 2005-03-31 US disclosed
US-6844337-B2 1,4-diazabicyclo[3.2.2]nonane-phenylisoxazole derivatives, their preparation and their application in therapeutics SANOFI-SYNTHELABO (FR) 2005-01-18 US disclosed
EP-1458717-A1 AROYL PYRIDINONES Bayer HealthCare AG (DE) 2004-09-22 EP disclosed
EP-1289986-B1 1,4-DIAZABICYCLO 3.2.2]NONANE-PHENYLISOXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-04-28 EP disclosed
WO-2003053967-A1 AROYL PYRIDINONES BAYER HEALTHCARE AG (DE) 2003-07-03 WO disclosed
US-20030114461-A1 1,4-Diazabicyclo[3.2.2]nonane-phenylisoxazole derivatives, preparation and therapeutic use thereof SANOFI (FR) 2003-06-19 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 (2 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-20030114461-A1 1,4-Diazabicyclo[3.2.2]nonane-phenylisoxazole derivatives, preparation and therapeutic use thereof CYC1, GLRA1, CBR1 MAPT 4765/4885MEN1 1537/4885KMT2A 3489/4885
US-20050070555-A1 Aroyl pyridinones PNPO, NDUFV2, NDUFS6 MAPT 3342/4885MEN1 4688/4885KMT2A 3958/4885

“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.