SCHEMBL9914767

SCHEMBL9914767

CC1CC(=O)N(OC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL15865947 0.86 ALDH1A1 (0.30) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL13071312 0.86 ADAM17 (0.30) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL28473630 0.85
SCHEMBL17735697 0.85 ALDH1A1 (0.30) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL13990674 0.84 BACE1 (0.30)
SCHEMBL14144493 0.84
SCHEMBL18344257 0.84
SCHEMBL22650155 0.84 ALDH1A1 (0.37) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL22635959 0.83
SCHEMBL4620757 0.83

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
US-20240226312-A1 TREATMENT OF CANCER IN PATIENTS WITH SOLUBLE FR-ALPHA IMMUNOGEN, INC. (US) 2024-07-11 US disclosed
WO-2020018941-A1 PEPTIDES FOR ACTIVATION OF CELL SIGNALING IN OSTEOPROGENITOR CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-01-23 WO disclosed
US-20170029514-A1 ANTI-CD123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF IMMUNOGEN, INC. 2017-02-02 US disclosed
EP-2612682-A2 Method of targeting specific cell populations using cell-binding agent maytansinoid conjugates linked via a non-cleavable linker, said conjugates, and methods of making said conjugates ImmunoGen, Inc. (US) 2013-07-10 EP disclosed
EP-2596804-A2 Method of targeting specific cell populations using cell-binding agent maytansinoid conjugates linked via a non-cleavable linker, said conjugates, and methods of making said conjugates ImmunoGen, Inc. (US) 2013-05-29 EP disclosed
EP-2596803-A2 Method of targeting specific cell populations using cell-binding agent maytansinoid conjugates linked via a non-cleavable linker, said conjugates, and methods of making said conjugates ImmunoGen, Inc. (US) 2013-05-29 EP disclosed
EP-1689846-B1 Conjugates of maytansinoid DM1 with antibody trastuzumab, linked through a non-cleavable linker, and its use in the treatment of tumours IMMUNOGEN INC (US) 2013-03-27 EP disclosed
US-8198417-B2 Potent, durable cytotoxic agents; tissue targeted therapy; tumors, autoimmune diseases, graft versus host disease, viral and parasite infections IMMUNOGEN INC. (US) 2012-06-12 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-20240226312-A1 TREATMENT OF CANCER IN PATIENTS WITH SOLUBLE FR-ALPHA FOLR1, FOLR2, FRS2 ALDH1A1 2452/4885CYP1A2 4668/4885HPGD 3990/4885
US-20170029514-A1 ANTI-CD123 ANTIBODIES AND CONJUGATES AND DERIVATIVES THEREOF IL23R, CD22, IL2RA ALDH1A1 1167/4885CYP1A2 3278/4885HPGD 2179/4885

“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.