SCHEMBL12633842

SCHEMBL12633842

Cc1cc(=O)[nH]c2ccc(S(=O)(=O)NCc3ccccc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 1.00
PKM P14618 4/20 0.67
MAPT P10636 6/20 0.61
TP53 P04637 5/20 0.61
LMNA P02545 5/20 0.61
GAA P10253 2/20 0.55
AR P10275 1/20 0.55
CA12 O43570 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
ATM Q13315 1/20 0.55
CA9 Q16790 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
PTPN11 Q06124 1/20 0.51

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
SCHEMBL6023094 0.83 POLB (0.71) POLBPKMMAPTTP53LMNA
SCHEMBL5759940 0.77 POLB (0.62) POLBPKMMAPTTP53LMNA
SCHEMBL19400889 0.77 NPC1 (0.73) POLBPKMLMNACA12CYP1A2
SCHEMBL26425790 0.76 ALDH1A1 (0.65) POLBPKMMAPTLMNAGAA
SCHEMBL6022357 0.75 POLB (0.60) POLBPKMMAPTTP53GAA
SCHEMBL26092765 0.74 KMT2A (0.71) POLBPKMMAPTLMNAGAA
SCHEMBL12633839 0.73 KMT2A (0.72) POLBPKMMAPTLMNAALDH1A1
SCHEMBL24254522 0.73 CA12 (0.63) POLBPKMLMNACA12CYP1A2
SCHEMBL19197973 0.73 SMN1; SMN2 (0.69) POLBPKMMAPTTP53LMNA
SCHEMBL117930 0.73 PKM (0.65) POLBPKMLMNACA12CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105477-A1 COMPOSITIONS AND METHODS RELATING TO HIV PROTEASE INHIBITION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-05 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 (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-20110105477-A1 COMPOSITIONS AND METHODS RELATING TO HIV PROTEASE INHIBITION PREP, HPN, PEPD POLB 322/4885PKM 2276/4885MAPT 1185/4885

“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.