SCHEMBL2960599

SCHEMBL2960599

COC(=O)CSCc1ccc2oc3ccc(F)cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TP53 P04637 3/20 0.41
KMT2A Q03164 2/20 0.41
PRNP P04156 1/20 0.41
NQO1 P15559 1/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2954386 0.86 ALDH1A1 (0.47) ALDH1A1TP53KMT2ARAB9ANPC1
SCHEMBL2958606 0.85 POLB (0.46) ALDH1A1TP53KMT2ANQO1RAB9A
SCHEMBL2956519 0.85 KMT2A (0.45) ALDH1A1TP53KMT2ANQO1RAB9A
SCHEMBL2966016 0.76 ALDH1A1 (0.47) ALDH1A1TP53KMT2ARAB9APOLB
SCHEMBL2965451 0.74 SMN1; SMN2 (0.50) ALDH1A1TP53KMT2ANQO1RAB9A
SCHEMBL2956897 0.74 TSHR (0.57) ALDH1A1KMT2ANQO1RAB9APOLB
SCHEMBL2954335 0.73 GABRP (0.50) ALDH1A1KMT2ARAB9APOLBNPC1
SCHEMBL2960499 0.73 CYP3A4 (0.48) ALDH1A1TP53KMT2ANQO1RAB9A
SCHEMBL11269213 0.72 SMN1; SMN2 (0.57) ALDH1A1KMT2AMAPTLMNA
SCHEMBL2961210 0.71 NQO1 (0.45) KMT2ANQO1CYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
EP-1735300-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2006-12-27 EP disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
WO-2005100345-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2005-10-27 WO disclosed
EP-1589016-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-10-26 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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A ALDH1A1 2457/4885TP53 2926/4885KMT2A 1455/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A ALDH1A1 2457/4885TP53 2926/4885KMT2A 1455/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A ALDH1A1 2457/4885TP53 2926/4885KMT2A 1455/4885

“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.