SCHEMBL23552011

SCHEMBL23552011

CC1(C)OC(=O)C(C[C@@H](N)Cc2ccccc2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ANPEP P15144 2/20 0.41
LAP3 P28838 1/20 0.41
SLC6A2 P23975 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SCN4A P35499 1/20 0.39
MDM2 Q00987 1/20 0.38
CYP2D6 P10635 1/20 0.38
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
PRTN3 P24158 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL23525318 0.91 BACE1 (0.39) EPHX1GLANPSR1ANPEPLAP3
Trifluoroacetic Acid SCHEMBL23525320 0.91 BACE1 (0.39) EPHX1GLANPSR1ANPEPLAP3
SCHEMBL22462731 0.77 LMNA (0.42) GLANPSR1
SCHEMBL23459310 0.77 LMNA (0.42) GLANPSR1
SCHEMBL7417047 0.76 GLA (0.66) GLANPSR1MDM2ELANECTSG
SCHEMBL22154517 0.71 ATM (0.56) NPSR1PKM
SCHEMBL12241767 0.71 GLA (0.44) GLANPSR1
SCHEMBL5834741 0.68 GLA (0.42) GLANPSR1MDM2
SCHEMBL17171323 0.67 GLA (0.41) EPHX1GLANPSR1
SCHEMBL28656 0.67 EPHX1 (1.00) EPHX1ANPEPLAP3SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH WILLIAM MARSH RICE UNIVERSITY (US) 2021-06-24 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 (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-20210188906-A1 TUBULYSIN ANALOGUES AS ANTICANCER AGENTS AND PAYLOADS FOR ANTIBODY-DRUG CONJUGATES AND METHODS OF TREATMENT THEREWITH TEK, CD2BP2, SDCBP EPHX1 3676/4885GLA 3038/4885NPSR1 1894/4885

“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.