SCHEMBL4915697

SCHEMBL4915697

Oc1cc2sc3cc(Cl)c(C(F)(F)F)cc3c2cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
KDR P35968 1/20 0.33
TRPV1 Q8NER1 3/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.32
NOTUM Q6P988 2/20 0.31
COMT P21964 1/20 0.31
PDK1 Q15118 1/20 0.30
CASP3 P42574 1/20 0.30
IDO1 P14902 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL4917159 0.89 NOTUM (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4916680 0.82 NOTUM (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4915613 0.81 ESR1 (0.42) HSD17B1HSD17B2TRPV1IDO1
SCHEMBL4916979 0.81 BCKDK (0.41) HSD17B1HSD17B2CSNK2A2CSNK2BCSNK2A1
SCHEMBL4919892 0.80 HSD17B1 (0.34) HSD17B1HSD17B2MCL1
SCHEMBL4922392 0.79 IDO1 (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4921104 0.79 PTPN2 (0.34) HSD17B1HSD17B2TMPRSS4NOTUMIDO1
SCHEMBL4919709 0.77 BCKDK (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4921401 0.77 CSNK2A2 (0.33) HSD17B1HSD17B2HTR3EHTR3BHTR3A
SCHEMBL4921627 0.77 CSNK2A2 (0.36) HSD17B1HSD17B2HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139824-A1 DIBENZOTHIOPHENE OXIDE COMPOUND, AND PROCESS FOR PRODUCING THE SAME SEKINE CHIZU 2008-06-12 US disclosed
US-20070057229-A1 COMPOUND HAVING PHENYLACETYLENE STRUCTURE, LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC PRODUCT, OPTICAL OR LIQUID CRYSTAL ELEMENT, DIBENZOTHIOPHENE COMPOUND, INTERMEDIATE, AND PROCESS FOR PRODUCING THE SAME SEKINE CHIZU 2007-03-15 US disclosed
US-7135579-B2 Dibenzothiophene oxide compound, and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-14 US disclosed
US-20040232384-A1 Compound having phenylacetylene structure, liquid crystal composition, polymer, optically anisotropic product, optical or liquid crystal element, dibenzothiophene compound, intermediate, and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED 2004-11-25 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 (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-20070057229-A1 COMPOUND HAVING PHENYLACETYLENE STRUCTURE, LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC PRODUCT, OPTICAL OR LIQUID CRYSTAL ELEMENT, DIBENZOTHIOPHENE COMPOUND, INTERMEDIATE, AND PROCESS FOR PRODUCING THE SAME CCNT1, CCNA1, CCNT2 HSD17B1 415/4885HSD17B2 798/4885HTR3E 2230/4885
US-20040232384-A1 Compound having phenylacetylene structure, liquid crystal composition, polymer, optically anisotropic product, optical or liquid crystal element, dibenzothiophene compound, intermediate, and process for producing the same CCNT1, BPNT1, PEAK1 HSD17B1 1215/4885HSD17B2 1813/4885HTR3E 2053/4885
US-20080139824-A1 DIBENZOTHIOPHENE OXIDE COMPOUND, AND PROCESS FOR PRODUCING THE SAME CCNT1, CCNA1, BPNT1 HSD17B1 948/4885HSD17B2 1557/4885HTR3E 2381/4885

“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.