SCHEMBL1531741

SCHEMBL1531741

COC(=O)C(C)CC(N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ANPEP P15144 3/20 0.50
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
EPHX1 P07099 1/20 0.48
LTA4H P09960 1/20 0.48
MMP2 P08253 2/20 0.48
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALPI P09923 1/20 0.46

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
SCHEMBL29077049 1.00 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL1531738 1.00 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL3044859 1.00 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL13386099 1.00 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL1531689 0.98 ALDH1A1 (0.51) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Hydrochloric Acid SCHEMBL1531688 0.98 ALDH1A1 (0.51) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL20583647 0.91 MME (0.50) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL20583644 0.91 MME (0.50) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL20583645 0.91 MME (0.50) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL8522871 0.91 MME (0.50) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107921144-B Aureostatin analogs and conjugate conjugates thereof with cell-binding molecules 杭州多禧生物科技有限公司 2023-11-28 CN disclosed
CN-116726190-A Aureostatin analogs and conjugate conjugates thereof with cell-binding molecules 杭州多禧生物科技有限公司 2023-09-12 CN disclosed
EP-3261443-B1 DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIV RICE WILLIAM M (US) 2021-04-28 EP disclosed
EP-2292639-B1 Tubulisine derivatives as anticancer drugs KEMOTECH S R L (IT) 2014-09-03 EP disclosed
US-8580820-B2 Tubulysin compounds with high cytotoxicity, pharmaceutical compositions thereof, and method of use thereof KEMTECH S.R.L. (IT) 2013-11-12 US disclosed
US-20110200581-A1 PHARMACEUTICAL COMPOSITIONS KEMOTECH S.r.I (IT) 2011-08-18 US disclosed
EP-2292639-A1 Tubulisine derivatives as anticancer drugs Kemotech S.r.l. (IT) 2011-03-09 EP disclosed
EP-2174947-A1 Bioactive pre-tubulysins and use thereof Universität des Saarlandes (DE) 2010-04-14 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-20110200581-A1 PHARMACEUTICAL COMPOSITIONS NR1H3, NR1H2, CCR8 ALDH1A1 4425/4885THRB 240/4885CYP2C9 151/4885

“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.