SCHEMBL19699581

SCHEMBL19699581

CC[C@@H](C)NC(=O)C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KMT2A Q03164 2/20 0.40
EPHX1 P07099 1/20 0.40
MEN1 O00255 1/20 0.40
CNR2 P34972 1/20 0.40
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALPL P05186 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 2/20 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
SCHEMBL19699582 1.00 MMP1 (0.48) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL8114734 1.00 MMP1 (0.48) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL24567516 0.84 MMP1 (0.47) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL23613007 0.82 ALDH1A1 (0.43) SMN1; SMN2PKMKMT2AMEN1CNR2
SCHEMBL15894960 0.82 MMP1 (0.45) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL15083020 0.82 MMP1 (0.45) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL24160865 0.82 MMP1 (0.45) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL24568605 0.82 MMP1 (0.45) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL21666433 0.82 MMP1 (0.45) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL13887653 0.81 ASAH1 (0.38) CNR2L3MBTL1ALDH1A1MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230271957-A1 CONDENSED PYRAZOLE DERIVATIVES AS INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. 2023-08-31 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 US disclosed
US-20190125753-A1 COMPOUNDS AND METHODS FOR INCREASING HEMATOPOIESIS UNIV SOUTHERN CALIFORNIA (US) 2019-05-02 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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 (6 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 MMP1 4198/4885MMP2 3788/4885MMP3 3512/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MMP1 3380/4885MMP2 3549/4885MMP3 4005/4885
US-20230271957-A1 CONDENSED PYRAZOLE DERIVATIVES AS INHIBITORS OF SARM1 SARM1, SMN1; SMN2, AIFM1 MMP1 2780/4885MMP2 1881/4885MMP3 2094/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH MMP1 1735/4885MMP2 527/4885MMP3 1356/4885
US-20190125753-A1 COMPOUNDS AND METHODS FOR INCREASING HEMATOPOIESIS CTNNB1, CTNNA1, HCLS1 MMP1 4040/4885MMP2 4134/4885MMP3 3084/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP MMP1 4276/4885MMP2 3883/4885MMP3 3716/4885

“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.