SCHEMBL513541

SCHEMBL513541

NNc1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
CA9 Q16790 3/20 0.61
CA12 O43570 3/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA5A P35218 1/20 0.61
CA7 P43166 1/20 0.61
CA14 Q9ULX7 1/20 0.61
CA5B Q9Y2D0 1/20 0.61
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
NT5E P21589 1/20 0.54
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL34520 0.98 CA1 (0.64) CA1CA2CA9CA12CA4
Bromide SCHEMBL20984485 0.95 CA1 (0.61) CA1CA2CA9CA12CA4
Sulfuric Acid SCHEMBL20984550 0.95 CA1 (0.61) CA1CA2CA9CA12CA4
Hydrochloric Acid SCHEMBL20984295 0.95 CA1 (0.61) CA1CA2CA9CA12CA4
Ammonia Solution, Strong SCHEMBL11352756 0.95 CA1 (0.61) CA1CA2CA9CA12CA4
Water SCHEMBL139057 0.95 CA1 (0.61) CA1CA2CA9CA12CA4
Water SCHEMBL139058 0.95 CA1 (0.61) CA1CA2CA9CA12CA4
Oxalic Acid SCHEMBL20984369 0.90 CA12 (0.55) CA1CA2CA9CA12CA4
Phosphoric Acid SCHEMBL20984425 0.90 CA1 (0.55) CA1CA2CA9CA12CA4
Nitric Acid SCHEMBL20984254 0.88 CA1 (0.53) CA1CA2CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10478512-B2 Charge-balanced imaging agents BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2019-11-19 US disclosed
US-10201621-B2 Charge-balanced imaging agents BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2019-02-12 US disclosed
US-20180177896-A1 CHARGE-BALANCED IMAGING AGENTS BETH ISRAEL DEACONESS MEDICAL CT INC (US) 2018-06-28 US disclosed
EP-2393420-B1 CHARGE-BALANCED IMAGING AGENTS BETH ISRAEL DEACONESS MEDICAL CT INC (US) 2018-05-30 EP disclosed
US-20170290928-A1 USE OF CHARGE-BALANCED IMAGING AGENTS FOR DETERMINING RENAL FUNCTION BETH ISRAEL DEACONESS MEDICAL CT INC (US) 2017-10-12 US disclosed
US-20170290927-A1 CHARGE-BALANCED IMAGING AGENTS BETH ISRAEL DEACONESS MEDICAL CT INC (US) 2017-10-12 US disclosed
US-9687567-B2 Charged-balanced imaging agents BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-06-27 US disclosed
US-20150209451-A1 CHARGED-BALANCED IMAGING AGENTS BETH ISRAEL HOSPITAL (US) 2015-07-30 US disclosed
US-9023611-B2 Charged-balanced imaging agents BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2015-05-05 US disclosed
US-20120028291-A1 CHARGED-BALANCED IMAGING AGENTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2012-02-02 US disclosed
EP-2393420-A1 CHARGE-BALANCED IMAGING AGENTS Beth Israel Deaconess Medical Center, Inc. (US) 2011-12-14 EP disclosed
WO-2010091243-A1 CHARGE-BALANCED IMAGING AGENTS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2010-08-12 WO 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 (7 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-10201621-B2 Charge-balanced imaging agents PHOSPHO1, ACTB, CYTH3 CA1 110/4885CA2 77/4885CA9 281/4885
US-10478512-B2 Charge-balanced imaging agents PHOSPHO1, ACTB, CYTH3 CA1 110/4885CA2 77/4885CA9 281/4885
US-20170290928-A1 USE OF CHARGE-BALANCED IMAGING AGENTS FOR DETERMINING RENAL FUNCTION ATP6V1B1, SLC8B1, PHOSPHO1 CA1 728/4885CA2 305/4885CA9 704/4885
US-20150209451-A1 CHARGED-BALANCED IMAGING AGENTS PHOSPHO1, ACTB, ARFGAP1 CA1 56/4885CA2 116/4885CA9 224/4885
US-20120028291-A1 CHARGED-BALANCED IMAGING AGENTS PHOSPHO1, ACTB, ARFGAP1 CA1 56/4885CA2 116/4885CA9 224/4885
US-20170290927-A1 CHARGE-BALANCED IMAGING AGENTS PHOSPHO1, ACTB, CYTH3 CA1 110/4885CA2 77/4885CA9 281/4885
US-20180177896-A1 CHARGE-BALANCED IMAGING AGENTS PHOSPHO1, ACTB, CYTH3 CA1 110/4885CA2 77/4885CA9 281/4885

“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.