SCHEMBL18611089

SCHEMBL18611089

CC(=O)c1ccc(Cl)c(-c2cccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]4N3)c2F)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 4/20 0.34
▸ MAPKAPK2 P49137 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ TP53 P04637 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CXCR2 P25025 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
SCHEMBL18546454 0.93 KLKB1 (0.37) CFDMAPKAPK2MAPK14ALDH1A1MAPK1
SCHEMBL18576584 0.93 KLKB1 (0.37) CFDMAPKAPK2MAPK14ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL18546403 0.92 KLKB1 (0.36) CFDMAPKAPK2MAPK14ALDH1A1MAPK1
SCHEMBL17024751 0.81 CFD (0.38) CFDMAPKAPK2MAPK14ALDH1A1MAPK1
SCHEMBL18576751 0.79 CFD (0.39) CFDMAPKAPK2MAPK14
SCHEMBL18576410 0.78 CFD (0.40) CFDALDH1A1SMN1; SMN2KLKB1MEN1
SCHEMBL17034800 0.78 CFD (0.40) CFDALDH1A1SMN1; SMN2KLKB1MEN1
SCHEMBL18572911 0.78 CFD (0.40) CFDALDH1A1SMN1; SMN2KLKB1MEN1
Hydrochloric Acid SCHEMBL17023486 0.77 CFD (0.40) CFDALDH1A1SMN1; SMN2KLKB1MEN1
Hydrochloric Acid SCHEMBL18548455 0.77 CFD (0.40) CFDALDH1A1SMN1; SMN2KLKB1MEN1

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-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-03 — — US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 — — 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 (2 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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 CFD 1/4885MAPKAPK2 2661/4885MAPK14 1116/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CFD 1/4885MAPKAPK2 2661/4885MAPK14 1116/4885

“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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