SCHEMBL8728928

SCHEMBL8728928

[CH2]c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.69
POLB P06746 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
USP2 O75604 1/20 0.67
TSHR P16473 3/20 0.65
KMT2A Q03164 2/20 0.63
HTT P42858 2/20 0.63
MEN1 O00255 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
LMNA P02545 1/20 0.63
APOBEC3A P31941 2/20 0.58
APOBEC3G Q9HC16 2/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
HSD17B10 Q99714 1/20 0.58
VCAM1 P19320 1/20 0.55
CYP2C9 P11712 1/20 0.54

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
SCHEMBL8729244 0.84 SMN1; SMN2 (0.76) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL8200020 0.83 KMT2A (0.84) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL7564728 0.83 KMT2A (0.84) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL9386579 0.83 KMT2A (0.84) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL6748039 0.82 USP2 (0.76) POLBSMN1; SMN2USP2TSHRKMT2A
SCHEMBL424172 0.81 PKM (0.71) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL7106543 0.81 ATM (0.69) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL1156725 0.81 ATM (0.69) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL160108 0.81 ATM (0.69) ATMPOLBSMN1; SMN2USP2TSHR
SCHEMBL16503462 0.81 ATM (0.69) ATMPOLBSMN1; SMN2USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US claimed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US disclosed
EP-3578562-B1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES ANACOR PHARMACEUTICALS INC (US) 2021-06-23 EP disclosed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US disclosed
US-10882872-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10562921-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-3578562-A1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES Anacor Pharmaceuticals, Inc (US) 2019-12-11 EP disclosed
EP-3455227-A1 OXABOROLE ESTERS AND USES THEREOF Anacor Pharmaceuticals, Inc (US) 2019-03-20 EP disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
WO-2017195069-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 WO disclosed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 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 (6 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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ATM 4829/4885POLB 560/4885SMN1; SMN2 442/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 ATM 4829/4885POLB 560/4885SMN1; SMN2 442/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ATM 4829/4885POLB 560/4885SMN1; SMN2 442/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 ATM 4829/4885POLB 560/4885SMN1; SMN2 442/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 ATM 4829/4885POLB 560/4885SMN1; SMN2 442/4885
US-10562921-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 ATM 4829/4885POLB 560/4885SMN1; SMN2 442/4885

“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.