SCHEMBL6501166

SCHEMBL6501166

COC(=O)c1cc(N2CCC(O)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
CSF1R P07333 1/20 0.49
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR1 P21554 1/20 0.41
FFAR4 Q5NUL3 5/20 0.41
NTRK1 P04629 1/20 0.41
NTRK2 Q16620 1/20 0.41
RHOA P61586 1/20 0.41
PHGDH O43175 1/20 0.41
DDR1 Q08345 1/20 0.41
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1B Q00975 1/20 0.39
ABL1 P00519 1/20 0.39
ADRB1 P08588 1/20 0.39
DGAT2 Q96PD7 1/20 0.39

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
SCHEMBL6497273 0.89 NOTUM (0.50) NOTUMCSF1RMAPTTDP1CNR1
SCHEMBL6495928 0.86 NOTUM (0.45) NOTUMCSF1RMAPTTDP1CNR1
SCHEMBL12171033 0.85 CSF1R (0.54) CSF1RMAPTFFAR4NTRK1NTRK2
SCHEMBL12154448 0.84 CSF1R (0.52) CSF1RFFAR4NTRK1NTRK2DDR1
SCHEMBL20577787 0.84 CSF1R (0.48) NOTUMCSF1RMAPTFFAR4NTRK1
SCHEMBL6507125 0.83 NOTUM (0.52) NOTUMMAPTCNR1RHOAPHGDH
SCHEMBL6498944 0.83 ABL1 (0.45) MAPTDDR1MEN1ALDH1A1KMT2A
SCHEMBL31003558 0.83 CSF1R (0.49) NOTUMCSF1RMAPTFFAR4NTRK1
SCHEMBL19386233 0.82 NOTUM (0.51) NOTUMMAPTCNR1PHGDHMEN1
SCHEMBL6498473 0.81 DRD2 (0.47) NOTUMCSF1RCNR1RHOAPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 NOTUM 4092/4885CSF1R 689/4885MAPT 4805/4885

“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.