SCHEMBL4962138

SCHEMBL4962138

COCCN(C)S(=O)(=O)c1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.34
▸ LMNA P02545 5/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ MLNR O43193 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GSTO1 P78417 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4974351 0.89 RXFP1 (0.36) PKMLMNASMN1; SMN2TP53RXFP1
SCHEMBL4962825 0.85 ALDH1A1 (0.36) PKMLMNASMN1; SMN2CYP2D6HRH1
SCHEMBL4962989 0.84 RXFP1 (0.38) LMNATP53RXFP1CYP2D6HRH1
SCHEMBL4964409 0.84 CYP2D6 (0.32) PKMLMNASMN1; SMN2CYP2D6HRH1
SCHEMBL4964473 0.83 PLA2G7 (0.32) PKMCYP2D6HRH1KCNH2
SCHEMBL14541616 0.82 RXFP1 (0.36) PKMLMNASMN1; SMN2TP53RXFP1
SCHEMBL4961953 0.81 ALDH1A1 (0.39) LMNATP53RXFP1ALDH1A1KDM4E
SCHEMBL5427742 0.81 PKM (0.34) PKMLMNASMN1; SMN2CYP2D6ALDH1A1
SCHEMBL4962798 0.80 PKM (0.34) PKMLMNASMN1; SMN2POLBALDH1A1
SCHEMBL4963436 0.80 MAPT (0.40) LMNASMN1; SMN2TP53RXFP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 — — EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP PKM 1971/4885LMNA 3259/4885SMN1; SMN2 4080/4885

“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.

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