SCHEMBL4179337

SCHEMBL4179337

NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)NO)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.37
MMP1 P03956 2/20 0.36
ADAM17 P78536 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ATM Q13315 1/20 0.35
PLAU P00749 1/20 0.35
NAE1 Q13564 1/20 0.35
UBA3 Q8TBC4 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
EPHX2 P34913 1/20 0.34
FSCN1 Q16658 1/20 0.34

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
SCHEMBL4158363 0.88 RORC (0.37) RORCMMP1ADAM17ALOX5APFEN1
SCHEMBL5253636 0.85 MAOA (0.42) POLBGPBAR1MAOAMAOBFSCN1
SCHEMBL4171952 0.80 ALOX5AP (0.37) ALOX5APFEN1NAE1UBA3SAE1
SCHEMBL5259067 0.79 ALDH1A1 (0.44) SMN1; SMN2GPBAR1ALDH1A1FSCN1TDP1
SCHEMBL4799799 0.77 ACVR1 (0.44) GPBAR1FSCN1NAMPT
SCHEMBL4805939 0.76 KDM4E (0.50) SMN1; SMN2ALDH1A1FSCN1TDP1HDAC6
SCHEMBL5252314 0.76 ALDH1A1 (0.42) SMN1; SMN2GPBAR1ALDH1A1FSCN1TDP1
SCHEMBL5256653 0.75 GRM2 (0.46) MAOAMAOBHDAC6
SCHEMBL2943245 0.75 FSCN1 (0.42) FSCN1HDAC6
SCHEMBL2949469 0.75 FSCN1 (0.42) FSCN1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US claimed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP RORC 1427/4885MMP1 436/4885ADAM17 187/4885

“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.