SCHEMBL3929655

SCHEMBL3929655

Cc1cc(F)ccc1S(=O)O.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
HDAC4 P56524 2/20 0.34
CCR2 P41597 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 2/20 0.31
P2RX7 Q99572 1/20 0.31
ACHE P22303 2/20 0.31

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
SCHEMBL8099608 0.98 CES2 (0.38) CES2CES1CA3CA6CA5A
SCHEMBL3924020 0.82 HDAC4 (0.35) CES2CES1CA3CA6CA5A
SCHEMBL11330503 0.79 TDP1 (0.43) ALDH1A1MAPT
SCHEMBL3923603 0.77 CES2 (0.45) CES2CES1CA3CA6CA5A
SCHEMBL3926305 0.77 CES2 (0.45) CES2CES1CA3CA6CA5A
SCHEMBL7170552 0.77 TDP1 (0.44) ALDH1A1MAPT
SCHEMBL3929653 0.76 MAPT (0.33) HDAC4CCR2CYP3A4CYP2C9ALDH1A1
SCHEMBL14632254 0.75 ESR2 (0.39) CA9CYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL10827502 0.75 CYP3A4 (0.40) CCR2CYP3A4CYP2C9KDM4ELMNA
SCHEMBL15998233 0.73 HPGD (0.38) CES2CES1CA3CA6CA5A

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
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 CES2 2150/4885CES1 2220/4885CA3 4443/4885

“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.