Sugi Predict

Sugi Predict / Compounds / SCHEMBL4087313

SCHEMBL4087313

SCHEMBL4087313

Cc1ccccc1S(=O)(=O)O.O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.68
▸ ERBB2 P04626 17/20 0.68
▸ ABL1 P00519 4/20 0.68
▸ INSR P06213 4/20 0.68
▸ PDGFRB P09619 4/20 0.68
▸ CDK2 P24941 4/20 0.68
▸ PLK1 P53350 3/20 0.68
▸ HDAC3 O15379 2/20 0.68
▸ HDAC4 P56524 2/20 0.68
▸ HDAC1 Q13547 2/20 0.68
▸ HDAC7 Q8WUI4 2/20 0.68
▸ HDAC2 Q92769 2/20 0.68
▸ HDAC10 Q969S8 2/20 0.68
▸ HDAC11 Q96DB2 2/20 0.68
▸ HDAC8 Q9BY41 2/20 0.68
▸ HDAC6 Q9UBN7 2/20 0.68
▸ HDAC9 Q9UKV0 2/20 0.68
▸ HDAC5 Q9UQL6 2/20 0.68
▸ ABCB11 O95342 2/20 0.65
▸ MEN1 O00255 1/20 0.65

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
SCHEMBL138668 0.90 ABCB11 (0.78) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL142106 0.90 EGFR (0.79) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL29387336 0.90 EGFR (0.79) EGFRERBB2ABL1INSRPDGFRB
Hydrochloric Acid SCHEMBL2511570 0.89 EGFR (0.78) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL12719625 0.86 EGFR (0.66) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL1448581 0.84 EGFR (0.77) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL13966850 0.84 EGFR (0.68) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL12727551 0.84 EGFR (0.69) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL12238761 0.83 EGFR (0.73) EGFRERBB2ABL1INSRPDGFRB
SCHEMBL3009979 0.83 EGFR (0.69) EGFRERBB2ABL1INSRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8821927-B2 Pharmaceutical composition SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2014-09-02 — — US disclosed
US-20090203718-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LTD. (IE) 2009-08-13 — — US disclosed
US-20080206330-A1 4-quinazolinamine active ingredient; inhibitor of EGFR and erbB2 protein tyrosine kinase; cancer; tablets manufactured economically, conveniently shipped, stored, dispensed; accurate dosage, ease of administration, portability NOVARTIS AG (CH) 2008-08-28 — — 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-20090203718-A1 CANCER TREATMENT METHOD IGF1R, EGFR, ERBB2 EGFR 2/4885ERBB2 3/4885ABL1 217/4885
US-20080206330-A1 4-quinazolinamine active ingredient; inhibitor of EGFR and erbB2 protein tyrosine kinase; cancer; tablets manufactured economically, conveniently shipped, stored, dispensed; accurate dosage, ease of administration, portability ERBB2, ERBB4, PTK2B EGFR 18/4885ERBB2 1/4885ABL1 6/4885

“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.