SCHEMBL4923159

SCHEMBL4923159

Oc1cc2sc3cc(Br)ccc3c2cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPM2A O95278 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
KDM1A O60341 2/20 0.33
ALOX15 P16050 2/20 0.33
AKR1B1 P15121 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32
ERN1 O75460 1/20 0.31
PPARA Q07869 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
NT5E P21589 1/20 0.30
CES2 O00748 1/20 0.30
GALR3 O60755 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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
SCHEMBL4921643 0.84 EPM2A (0.38) EPM2APTPN2PTPN1PTPN22KDM1A
SCHEMBL4920500 0.83 PTPN2 (0.40) EPM2APTPN2PTPN1PTPN22KDM1A
SCHEMBL4921104 0.81 PTPN2 (0.34) EPM2APTPN2PTPN1PTPN22HSD17B1
SCHEMBL4916979 0.81 BCKDK (0.41) HSD17B1HSD17B2TMPRSS4CSNK2A2CSNK2B
SCHEMBL4921777 0.81 HSD17B1 (0.35) HSD17B1HSD17B2AKR1B1CSNK2A2CSNK2B
SCHEMBL4919569 0.81 NT5E (0.40) EPM2APTPN2PTPN1PTPN22KDM1A
SCHEMBL4912394 0.77 ALOX15 (0.36) EPM2APTPN2PTPN1PTPN22ALOX15
SCHEMBL29644557 0.76 RAB9A (0.41) EPM2APTPN2PTPN1PTPN22ALOX15
SCHEMBL205544 0.76 RAB9A (0.41) EPM2APTPN2PTPN1PTPN22ALOX15
SCHEMBL4919892 0.76 HSD17B1 (0.34) HSD17B1HSD17B2AKR1B1

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 6 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-6849202-B2 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 (JP) 2005-02-01 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
US-20020110650-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 (JP) 2002-08-15 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 (4 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 EPM2A 747/4885PTPN2 4452/4885PTPN1 3803/4885
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 EPM2A 461/4885PTPN2 3826/4885PTPN1 3396/4885
US-20080139824-A1 DIBENZOTHIOPHENE OXIDE COMPOUND, AND PROCESS FOR PRODUCING THE SAME CCNT1, CCNA1, BPNT1 EPM2A 1653/4885PTPN2 4390/4885PTPN1 3906/4885
US-20020110650-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, NAT1, PEAK1 EPM2A 556/4885PTPN2 4151/4885PTPN1 3535/4885

“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.