SCHEMBL21183304

SCHEMBL21183304

O=C(O)CC[C@H](NC(=O)N[C@@H](CCC(=O)NCCCCCCCC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.53
▸ ALB P02768 2/20 0.52
▸ CA12 O43570 5/20 0.51
▸ CA1 P00915 5/20 0.51
▸ CA2 P00918 5/20 0.51
▸ CA9 Q16790 5/20 0.51
▸ CA14 Q9ULX7 2/20 0.51
▸ CA7 P43166 1/20 0.51
▸ HTRA2 O43464 7/20 0.49
▸ HTRA1 Q92743 7/20 0.49
▸ FKBP1A P62942 1/20 0.47
▸ HTR3A P46098 2/20 0.47

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
SCHEMBL17245299 0.97 FOLH1 (0.56) FOLH1ALBCA12CA1CA2
SCHEMBL20843781 0.97 FOLH1 (0.56) FOLH1ALBCA12CA1CA2
SCHEMBL21183297 0.95 FOLH1 (0.54) FOLH1ALBCA12CA1CA2
SCHEMBL15505788 0.94 FOLH1 (0.54) FOLH1ALBCA12CA1CA2
SCHEMBL22854872 0.93 FOLH1 (0.52) FOLH1ALBCA12CA1CA2
SCHEMBL17245794 0.93 FOLH1 (0.55) FOLH1ALBCA12CA1CA2
SCHEMBL19455835 0.93 FOLH1 (0.55) FOLH1ALBCA12CA1CA2
SCHEMBL22639566 0.92 CA9 (0.49) FOLH1ALBCA12CA1CA2
SCHEMBL21187074 0.92 FOLH1 (0.53) FOLH1ALBCA12CA1CA2
SCHEMBL20622392 0.92 FOLH1 (0.54) FOLH1ALBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11311576-B2 Methods of use for CAR T cells SEATTLE CHILDREN'S HOSPITAL (US) 2022-04-26 — — US disclosed
US-20220000996-A1 CHIMERIC ANTIGEN RECEPTOR-EXPRESSING T CELLS AS ANTI-CANCER THERAPEUTICS PURDUE RESEARCH FOUNDATION 2022-01-06 — — US disclosed
US-20190224237-A1 METHODS OF USE FOR CAR T CELLS Seattle Children's Hospital (dba Seattle Children's Research Institute) 2019-07-25 — — 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 (3 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-11311576-B2 Methods of use for CAR T cells CD47, CD4, CD2 FOLH1 62/4885ALB 2917/4885CA12 47/4885
US-20220000996-A1 CHIMERIC ANTIGEN RECEPTOR-EXPRESSING T CELLS AS ANTI-CANCER THERAPEUTICS CD4, CD2, CD47 FOLH1 279/4885ALB 2373/4885CA12 80/4885
US-20190224237-A1 METHODS OF USE FOR CAR T CELLS CD47, CD4, CD2 FOLH1 62/4885ALB 2917/4885CA12 47/4885

“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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