SCHEMBL18522844

SCHEMBL18522844

CCCCOC(=O)[C@H](C(C)C)N(C)CCc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CASP1 P29466 1/20 0.41
▸ CYP17A1 P05093 1/20 0.40
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ CTSK P43235 2/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL21963468 0.87 CYP17A1 (0.45) CYP17A1PPARGPPARADRD2ADAMTS4
SCHEMBL17209943 0.84 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL16197807 0.84 CYP17A1 (0.46) CYP17A1PPARGPPARADRD2ADAMTS4
SCHEMBL19393982 0.84 CYP17A1 (0.46) CYP17A1PPARGPPARADRD2ADAMTS4
SCHEMBL16202118 0.84 MAPT (0.44) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL19393993 0.84 MAPT (0.44) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL17209902 0.83 PAX8 (0.38) NPC1RAB9ASMN1; SMN2HPGDMAPT
SCHEMBL17209901 0.81 LTB4R (0.42) KDM4EL3MBTL1PPARGKMT2A
SCHEMBL21444833 0.80 PPARG (0.45) MAPK1CYP17A1PPARGPPARADRD2
SCHEMBL17210278 0.80 CA2 (0.41) CTSKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669106-B2 Conjugate of monomethyl auristatin F and trastuzumab and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2017-06-06 — — US disclosed
WO-2017072196-A1 COMPOSITION FOR THE TREATMENT OF IGF-1R EXPRESSING CANCER PIERRE FABRE MEDICAMENT (FR) 2017-05-04 — — WO disclosed
US-20170112943-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-04-27 — — US disclosed
US-20170043032-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2017-02-16 — — 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-20170043032-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER KRTCAP2, DDOST, DAD1 NPC1 379/4885RAB9A 1906/4885SMN1; SMN2 4595/4885
US-20170112943-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER AURKC, AURKA, EGFR NPC1 4292/4885RAB9A 3233/4885SMN1; SMN2 3430/4885

“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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