SCHEMBL18576584

SCHEMBL18576584

CC(=O)c1ccc(Cl)c(-c2cccc(NC(=O)[C@@H]3C[C@H]4CC4N3)c2F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.37
▸ CFD P00746 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PTGES O14684 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAPT P10636 4/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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 1.00 KLKB1 (0.37) KLKB1CFDALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL18546403 0.99 KLKB1 (0.36) KLKB1CFDALDH1A1SMN1; SMN2MAPK1
SCHEMBL18611089 0.93 CFD (0.34) KLKB1CFDALDH1A1SMN1; SMN2MAPK1
SCHEMBL18572911 0.86 CFD (0.40) KLKB1CFDALDH1A1SMN1; SMN2MEN1
SCHEMBL18576410 0.86 CFD (0.40) KLKB1CFDALDH1A1SMN1; SMN2MEN1
SCHEMBL17034800 0.86 CFD (0.40) KLKB1CFDALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL18548455 0.85 CFD (0.40) KLKB1CFDALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL29545426 0.85 CFD (0.40) KLKB1CFDALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL17047384 0.85 CFD (0.40) KLKB1CFDALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL17023486 0.85 CFD (0.40) KLKB1CFDALDH1A1SMN1; SMN2MEN1

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-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 — — US disclosed
US-10000516-B2 Phosphonate compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-19 — — US disclosed
US-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 — — 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 (3 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-20170057983-A1 Phosphonate Compounds for Treatment of Medical Disorders CFD, TFPI, CFH KLKB1 348/4885CFD 1/4885ALDH1A1 4280/4885
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 KLKB1 450/4885CFD 1/4885ALDH1A1 1682/4885
US-10000516-B2 Phosphonate compounds for treatment of medical disorders CFD, TFPI, CFH KLKB1 348/4885CFD 1/4885ALDH1A1 4280/4885

“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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