Sugi Predict

Sugi Predict / Compounds / SCHEMBL452006

SCHEMBL452006

SCHEMBL452006

Nc1cccc(S(=O)(=O)NCCO)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.66
▸ CYP2C19 P33261 2/20 0.63
▸ CYP19A1 P11511 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.55
▸ PKM P14618 3/20 0.55
▸ CA2 P00918 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ F2 P00734 3/20 0.54
▸ PRSS1 P07477 3/20 0.54
▸ PRSS2 P07478 3/20 0.54
▸ PRSS3 P35030 3/20 0.54
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA4 P22748 1/20 0.50

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
SCHEMBL31174173 0.90 PRMT1 (0.73) PRMT1CYP2C19CYP19A1ALDH1A1PKM
SCHEMBL1565027 0.90 PRMT1 (0.73) PRMT1CYP2C19CYP19A1ALDH1A1PKM
SCHEMBL7623885 0.88 CYP2C19 (0.73) PRMT1CYP2C19ALDH1A1PKMGAA
SCHEMBL28022032 0.85 PRMT1 (0.68) PRMT1CYP2C19CYP19A1ALDH1A1PKM
SCHEMBL9121912 0.84 CYP2C19 (0.69) PRMT1CYP2C19ALDH1A1PKMGAA
SCHEMBL9444716 0.84 CYP2D6 (0.67) PRMT1CYP2C19CYP19A1ALDH1A1PKM
SCHEMBL10787365 0.83 PRMT1 (0.66) PRMT1CYP2C19CYP19A1ALDH1A1PKM
SCHEMBL18995906 0.83 CYP2C19 (0.67) PRMT1CYP2C19ALDH1A1PKMGAA
Hydrochloric Acid SCHEMBL11395322 0.83 PRMT1 (0.61) PRMT1CYP2C19CYP19A1ALDH1A1PKM
SCHEMBL12407044 0.81 CYP2C19 (0.60) PRMT1CYP2C19CYP19A1ALDH1A1PKM

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 — — EP claimed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 — — EP claimed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 — — WO claimed
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS DERMIRA (CANADA), INC. (US) 2014-04-17 — — US disclosed
US-8466201-B2 Potassium ion channel modulators and uses thereof RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2013-06-18 — — US disclosed
US-8445694-B2 Hydrazonopyrazole derivatives and their use as therapeutics DERMIRA (CANADA), INC. (US) 2013-05-21 — — US disclosed
EP-2231594-B1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF UNIV RAMOT (IL) 2013-03-27 — — EP disclosed
US-20120065270-A1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2012-03-15 — — US disclosed
US-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Valocor Therapeutics, Inc. (CA) 2011-09-29 — — US disclosed
US-7875728-B2 tert-butyl-[5-methyl-4-(phenylhydrazono)-4H-pyrazol-3-yl]amine; 4-(3-fluorophenylhydrazono)-5-methyl-2H-pyrazol-3-ylamine; demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death Valocor Therapeutics, Inc. (CA) 2011-01-25 — — US disclosed
EP-2231594-A2 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF Ramot at Tel-Aviv University Ltd (IL) 2010-09-29 — — EP disclosed
WO-2003082881-A2 PYRIDOXAL-5-PHOSPHATE DERIVATIVES AS HIV INTEGRASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2003-10-09 — — WO disclosed
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 — — US disclosed
EP-0372315-B1 Reactive dyes based on copper formazane BASF AG (DE) 1994-01-26 — — EP disclosed
US-5245020-A Reactive dyes with two or three nitrogen-containing haloheterocycles as reactive system BASF AKTIENGESELLSCHAFT (DE) 1993-09-14 — — US disclosed
US-5149789-A Triazine dyes BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 — — US disclosed
US-5041540-A For dyeing or printing hydroxyl- or nitrogen-containing substrates BASF AKTIENGESELLSCHAFT (DE) 1991-08-20 — — US disclosed
EP-0391264-A1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF Aktiengesellschaft (DE) 1990-10-10 — — EP disclosed
EP-0372315-A1 Reactive dyes based on copper formazane BASF Aktiengesellschaft (DE) 1990-06-13 — — EP disclosed
US-4247460-A Disazo dyestuff sulphuric acid ester BAYER AKTIENGESELLSCHAFT (DE) 1981-01-27 — — 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 (4 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-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 PRMT1 1876/4885CYP2C19 1325/4885CYP19A1 669/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 PRMT1 1876/4885CYP2C19 1325/4885CYP19A1 669/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C PRMT1 1822/4885CYP2C19 1296/4885CYP19A1 528/4885
US-20120065270-A1 POTASSIUM ION CHANNEL MODULATORS AND USES THEREOF KCNN3, SCN2B, SCN1B PRMT1 2062/4885CYP2C19 2337/4885CYP19A1 2369/4885

“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.