SCHEMBL197374

SCHEMBL197374

COc1cc(I)c(S(=O)(=O)OCC(C)(C)C)cc1I

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
TSHR P16473 3/20 0.36
HTR1A P08908 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 2/20 0.36
LMNA P02545 1/20 0.36
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HRH1 P35367 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR6 P50406 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GLA P06280 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
SCHEMBL197408 0.94 HTR2A (0.33) HTR2AHTR2CHTR2BTSHRHTR1A
SCHEMBL193428 0.81 ALDH1A1 (0.30) SMN1; SMN2
SCHEMBL198698 0.78 RAD51 (0.30)
SCHEMBL197748 0.78 ALDH1A1 (0.30) SMN1; SMN2
SCHEMBL198435 0.78 RAD51 (0.33)
SCHEMBL197325 0.75 TSHR (0.41) HTR2AHTR2CTSHRSMN1; SMN2
SCHEMBL196855 0.75 TSHR (0.41) HTR2AHTR2CTSHRLMNASMN1; SMN2
SCHEMBL2844078 0.73 HTR2A (0.39) HTR2AHTR2CHTR2BTSHRHTR1A
SCHEMBL196626 0.72 TRPV4 (0.41) TSHRLMNASMN1; SMN2
SCHEMBL198397 0.72 POLB (0.50) TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
EP-1935916-B1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL CO (JP) 2012-05-23 EP disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
EP-2233459-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
US-20080287646-A1 Polyarylene and Method for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2008-11-20 US disclosed
EP-1935916-A1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-06-25 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 (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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 HTR2A 2953/4885HTR2C 2575/4885HTR2B 2083/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 HTR2A 3507/4885HTR2C 3228/4885HTR2B 2694/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 HTR2A 1194/4885HTR2C 654/4885HTR2B 991/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR HTR2A 2880/4885HTR2C 3343/4885HTR2B 2493/4885

“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.