SCHEMBL998808

SCHEMBL998808

Fc1cc(Br)ccc1-c1cncnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.49
FEN1 P39748 4/20 0.49
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
DGAT1 O75907 1/20 0.35
ATM Q13315 1/20 0.34
AR P10275 2/20 0.34
GAA P10253 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 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
SCHEMBL2658421 0.78 IMPDH2 (0.49) ALOX5APFEN1AKR1C3AKR1C2CYP11B1
SCHEMBL31310573 0.76 DGAT1 (0.46) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL14520998 0.76 DGAT1 (0.46) ALOX5APFEN1MMP1MMP2MMP3
SCHEMBL30665731 0.74 ALOX5AP (0.45) ALOX5APFEN1CYP11B1CYP17A1MMP1
SCHEMBL1000755 0.74 DYRK1A (0.39) CYP11B1CYP11B2ATM
SCHEMBL12198995 0.74 ALOX5AP (0.45) ALOX5APFEN1CYP11B1CYP17A1MMP1
SCHEMBL1814767 0.74 ALOX5AP (0.49) ALOX5APFEN1AKR1C3MMP1MMP2
SCHEMBL538592 0.74 ALDH1A1 (0.46) ALOX5APFEN1AKR1C3AKR1C2MMP1
SCHEMBL29448266 0.74 ALOX5AP (0.49) ALOX5APFEN1AKR1C3MMP1MMP2
SCHEMBL10269866 0.74 ALOX5AP (0.49) ALOX5APFEN1CYP3A4MMP1MMP2

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-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed
EP-2166015-A1 LINCOSAMIDE DERIVATIVE, AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-03-24 EP 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-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A ALOX5AP 1233/4885FEN1 4483/4885AKR1C3 1492/4885

“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.