SCHEMBL3363273

SCHEMBL3363273

O=C(O)c1cccc(N(F)c2ccccc2)c1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.45
TSHR P16473 2/20 0.39
HNF4A P41235 1/20 0.39
ACMSD Q8TDX5 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN6 P29350 1/20 0.37
KMT2A Q03164 1/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
RAB9A P51151 1/20 0.35
AKR1C3 P42330 1/20 0.35
FOLH1 Q04609 1/20 0.35

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
SCHEMBL3364459 0.82 PTPN1 (0.45) PTPN1TSHRHNF4AACMSDALDH1A1
SCHEMBL4256430 0.79 ALDH1A1 (0.50) PTPN1TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL27488099 0.79 ALDH1A1 (0.54) PTPN1TSHRHNF4AACMSDALDH1A1
SCHEMBL26502 0.73 HNF4A (0.53) PTPN1TSHRHNF4AACMSDALDH1A1
SCHEMBL4630736 0.73 ALDH1A1 (0.55) PTPN1TSHRHNF4AACMSDALDH1A1
SCHEMBL4777002 0.73 TSHR (0.59) PTPN1TSHRHNF4AACMSDALDH1A1
SCHEMBL3361334 0.71 MMP2 (0.52) PTPN1TSHRHNF4AACMSDALDH1A1
SCHEMBL18836973 0.71 LMNA (0.50) PTPN1TSHRHNF4AACMSDALDH1A1
SCHEMBL9717027 0.71 ALDH1A1 (0.53) PTPN1TSHRHNF4AACMSDALDH1A1
SCHEMBL5455144 0.71 ALDH1A1 (0.57) PTPN1TSHRHNF4AACMSDALDH1A1

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-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation BIOLIPOX AB 2010-06-10 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-20100144872-A1 New Methylenebisphenyl Compounds Useful in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R PTPN1 2101/4885TSHR 1657/4885HNF4A 4415/4885

“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.