Sugi Predict

Sugi Predict / Compounds / SCHEMBL9920671

SCHEMBL9920671

SCHEMBL9920671

COC(=O)c1sc2ccc([N+](=O)[O-])cc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ POLB P06746 4/20 0.39
▸ ELANE P08246 3/20 0.39
▸ F2 P00734 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ CTRB1 P17538 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 8/20 0.38
▸ HPGD P15428 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HK1 P19367 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SENP5 Q96HI0 1/20 0.37
▸ SENP2 Q9HC62 1/20 0.37
▸ SENP1 Q9P0U3 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
SCHEMBL11794818 0.83 MAPT (0.48) MAPTMCL1POLBELANEF2
SCHEMBL9920691 0.82 MAPT (0.38) MAPTMCL1POLBSMN1; SMN2LMNA
SCHEMBL9920133 0.77 MAPT (0.46) MAPTMCL1POLBELANEF2
SCHEMBL5251420 0.76 MAPT (0.58) MAPTMCL1POLBELANEF2
SCHEMBL3200436 0.76 MCL1 (0.45) MAPTMCL1SMN1; SMN2LMNAALDH1A1
SCHEMBL11800461 0.74 ALDH1A1 (0.48) MAPTMCL1POLBSMN1; SMN2LMNA
SCHEMBL6686530 0.74 POLB (0.45) MAPTPOLBLMNAALDH1A1HPGD
SCHEMBL11797507 0.71 MAPT (0.46) MAPTMCL1POLBSMN1; SMN2LMNA
SCHEMBL2393802 0.71 POLB (0.39) MAPTPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL3716428 0.70 EGFR (0.41) MAPTPOLBSMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 — — US disclosed
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 — — US disclosed
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 — — US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 — — US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 — — US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 — — US disclosed
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 — — 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 (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-20140045821-A1 PROTEIN KINASE D INHIBITORS PRKCD, PRKD1, PRKD2 MAPT 2558/4885MCL1 1651/4885POLB 2388/4885

“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.