SCHEMBL9951587

SCHEMBL9951587

O=S(=O)(O)c1ccccc1/C=C/c1ccccc1Nc1nnnc(Nc2ccccc2)c1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 4/20 0.36
POLB P06746 3/20 0.36
APAF1 O14727 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SRC P12931 1/20 0.36
TTR P02766 1/20 0.35
FABP4 P15090 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK14 Q16539 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
NR4A1 P22736 1/20 0.35
HTR2A P28223 2/20 0.35

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
SCHEMBL9929254 0.90 CA12 (0.39) CA12CA1CA2CA9LMNA
SCHEMBL8057064 0.75 CA12 (0.53) CA12CA1CA2CA9LMNA
SCHEMBL4778070 0.75 CA12 (0.53) CA12CA1CA2CA9LMNA
SCHEMBL8406469 0.74 LMNA (0.54) CA12CA1CA2CA9LMNA
SCHEMBL8663705 0.74 LMNA (0.51) CA12CA1CA2CA9LMNA
SCHEMBL4776717 0.73 CA12 (0.53) CA12CA1CA2CA9LMNA
SCHEMBL7738661 0.71 CA12 (0.51) CA12CA1CA2CA9LMNA
SCHEMBL14759752 0.71 TTR (0.50) CA12CA1CA2CA9MAPT
SCHEMBL461642 0.70 CA12 (0.61) CA12CA1CA2CA9LMNA
SCHEMBL31121933 0.70 CA12 (0.61) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3864122-A1 CLEANING COMPOSITIONS AND USES THEREOF Novozymes A/S (DK) 2021-08-18 EP disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
WO-2013062885-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2013-05-02 WO disclosed
WO-2012087788-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012087793-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012087785-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012087790-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012087787-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012087792-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012087789-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012087786-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-06-28 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-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 CA12 3748/4885CA1 4656/4885CA2 1084/4885

“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.