SCHEMBL17015171

SCHEMBL17015171

Cc1ccc(S(=O)(=O)/N=S(\C)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 1.00
▸ MEN1 O00255 2/20 1.00
▸ CYP2C19 P33261 1/20 0.83
▸ PIR O00625 1/20 0.67
▸ ALDH1A1 P00352 8/20 0.65
▸ KDM4E B2RXH2 3/20 0.65
▸ LMNA P02545 2/20 0.65
▸ MAPT P10636 2/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ RECQL P46063 1/20 0.49
▸ F2 P00734 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ C5AR1 P21730 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42

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
SCHEMBL17996453 1.00 KMT2A (1.00) KMT2AMEN1CYP2C19PIRALDH1A1
SCHEMBL16317067 0.91 CYP2C19 (1.00) KMT2AMEN1CYP2C19PIRALDH1A1
SCHEMBL17015173 0.91 CYP2C19 (1.00) KMT2AMEN1CYP2C19PIRALDH1A1
SCHEMBL17015172 0.85 KMT2A (0.74) KMT2AMEN1CYP2C19PIRALDH1A1
SCHEMBL9633894 0.84 KMT2A (0.73) KMT2AMEN1CYP2C19PIRALDH1A1
SCHEMBL1774946 0.83 CYP2C19 (0.84) KMT2AMEN1CYP2C19PIRALDH1A1
SCHEMBL2940445 0.83 CYP2C19 (0.84) KMT2AMEN1CYP2C19PIRALDH1A1
SCHEMBL1774945 0.83 CYP2C19 (0.84) KMT2AMEN1CYP2C19PIRALDH1A1
SCHEMBL30043551 0.81 PIR (1.00) KMT2AMEN1CYP2C19PIRALDH1A1
SCHEMBL22188685 0.81 PIR (1.00) KMT2AMEN1CYP2C19PIRALDH1A1

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-20160355852-A1 METHODS AND SYSTEMS FOR SULFIMIDATION OR SULFOXIMIDATION OF ORGANIC MOLECULES THE CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-12-08 — — US disclosed
US-20160355852-A1 METHODS AND SYSTEMS FOR SULFIMIDATION OR SULFOXIMIDATION OF ORGANIC MOLECULES THE CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-12-08 — — US disclosed
US-9399762-B2 Methods and systems for sulfimidation or sulfoximidation of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-07-26 — — US disclosed
US-9399762-B2 Methods and systems for sulfimidation or sulfoximidation of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-07-26 — — US disclosed
US-20150232814-A1 METHODS AND SYSTEMS FOR SULFIMIDATION OR SULFOXIMIDATION OF ORGANIC MOLECULES NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2015-08-20 — — US disclosed
US-20150232814-A1 METHODS AND SYSTEMS FOR SULFIMIDATION OR SULFOXIMIDATION OF ORGANIC MOLECULES NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2015-08-20 — — 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 (1 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-20150232814-A1 METHODS AND SYSTEMS FOR SULFIMIDATION OR SULFOXIMIDATION OF ORGANIC MOLECULES TST, STS, MPST KMT2A 3084/4885MEN1 3530/4885CYP2C19 2262/4885

“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.

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