SCHEMBL4316973

SCHEMBL4316973

Cc1ccc(S(=O)(=O)n2cccc2CC[N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 7/20 0.65
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
HTR6 P50406 4/20 0.40
POLB P06746 1/20 0.39
ALDH3A1 P30838 1/20 0.39
HTT P42858 1/20 0.39
NOD1 Q9Y239 1/20 0.39
KDM4E B2RXH2 1/20 0.37
UBE2N P61088 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6259796 0.81 RAPGEF4 (0.70) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL28324390 0.81 RAPGEF4 (0.70) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL15175998 0.79 RAPGEF4 (1.00) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL4281249 0.79 RAPGEF4 (0.67) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL28592804 0.78 RAPGEF4 (0.74) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL29179097 0.78 RAPGEF4 (0.74) RAPGEF4CA1CA2L3MBTL1POLB
SCHEMBL5534938 0.78 RAPGEF4 (0.74) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL4170873 0.77 CA1 (0.41) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL30877502 0.77 RAPGEF4 (0.63) RAPGEF4CA1CA2L3MBTL1HTR6
SCHEMBL38660600 0.75 RAPGEF4 (0.70) RAPGEF4CA1CA2L3MBTL1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9417245-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2016-08-16 US disclosed
US-20150153350-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 US disclosed
US-8980565-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2015-03-17 US disclosed
US-8546088-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2013-10-01 US disclosed
US-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-09-27 US disclosed
US-20120244551-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-09-27 US disclosed
US-8207329-B2 Synthesis of chlorins and phorbines with enhanced red spectral features NORTH CAROLINA STATE UNIVERSITY (US) 2012-06-26 US disclosed
US-8187824-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-29 US disclosed
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-10 US disclosed
US-20090075295-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 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 (2 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-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, HCCS RAPGEF4 2368/4885CA1 2283/4885CA2 231/4885
US-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, QDPR RAPGEF4 2241/4885CA1 2250/4885CA2 253/4885

“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.