SCHEMBL4911263

SCHEMBL4911263

CCc1cc2c(cc1Br)sc1cc(Br)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPM2A O95278 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
CYP2A6 P11509 1/20 0.33
RAB9A P51151 6/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NPC1 O15118 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
PRNP P04156 2/20 0.31
RXFP1 Q9HBX9 2/20 0.31
MIF P14174 1/20 0.31
CYP3A4 P08684 1/20 0.31
DYRK1A Q13627 1/20 0.31
PPARG P37231 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4920634 0.88 GABRA1 (0.33) SMN1; SMN2GABRA1GABRB2
SCHEMBL4920269 0.84 ESR2 (0.39) EPM2APTPN2PTPN1PTPN22RAB9A
SCHEMBL4921539 0.84 MCL1 (0.40) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL4919838 0.84 ESR1 (0.40) ESR1ESR2
SCHEMBL4913232 0.84 EPM2A (0.32) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL4921865 0.84 MIF (0.35) EPM2APTPN2PTPN1PTPN22CYP2A6
SCHEMBL4920595 0.84
SCHEMBL4913621 0.78 GRIN2D (0.40)
SCHEMBL4921767 0.78
SCHEMBL4915797 0.78 MCL1 (0.37) RAB9AESR1ESR2SMN1; SMN2HPGD

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.