SCHEMBL22070349

SCHEMBL22070349

CC1=C(CCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)N2CCOCC2)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.37
▸ GHSR Q92847 3/20 0.35
▸ MC4R P32245 1/20 0.35
▸ CALCR P30988 4/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ F2 P00734 4/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ OPRK1 P41145 1/20 0.33

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
SCHEMBL22070351 1.00 APLNR (0.37) APLNRGHSRMC4RCALCRCRHR1
SCHEMBL17168143 0.92 APLNR (0.39) APLNRGHSRMC4RCALCRF2
SCHEMBL2623712 0.80 APLNR (0.40) APLNRCRHR1CRHR2F2CAPN1
SCHEMBL15744687 0.80 APLNR (0.40) APLNRGHSRMC4RCRHR1CRHR2
SCHEMBL22387819 0.77 CTSS (0.40) CAPN1OPRK1
SCHEMBL15745525 0.75 APLNR (0.36) APLNRCALCRCRHR1CRHR2
SCHEMBL19084162 0.74 APLNR (0.36) APLNRGHSRCRHR1CRHR2F2
SCHEMBL26019657 0.74 CTSS (0.40) APLNRCAPN1OPRK1
SCHEMBL15744682 0.74 MMP3 (0.40) APLNRGHSRCALCRCRHR1CRHR2
SCHEMBL13624749 0.69 CTSS (0.48) CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4524569-A2 METHODS, COMPOSITIONS AND DEVICES FOR TREATING CANCER WITH ILLUDOFULVENES AF Chemical LLC (US) 2025-03-19 — — EP disclosed
EP-3667323-B1 METHODS, COMPOSITIONS AND DEVICES FOR TREATING CANCER WITH ILLUDOFULVENES AF CHEMICAL LLC (US) 2024-11-13 — — EP disclosed
US-12023339-B2 Methods, compositions and devices for treating cancer with illudofulvenes AF CHEMICALS, LLC (US) 2024-07-02 — — US disclosed
US-11591295-B2 Affinity illudofulvene conjugates AF CHEMICALS LLC (US) 2023-02-28 — — US disclosed
EP-4035684-A1 AFFINITY ILLUDOFULVENE CONJUGATES AF Chemical LLC (US) 2022-08-03 — — EP disclosed
US-11241398-B2 Affinity medicant conjugate AF CHEMICALS, LLC (US) 2022-02-08 — — US disclosed
US-11160807-B1 Methods, compositions and devices for treating cancer with illudofulvenes AF CHEMICALS, LLC (US) 2021-11-02 — — US disclosed
US-11135182-B2 Affinity medicant conjugates AF CHEMICALS, LLC (US) 2021-10-05 — — US disclosed
US-20210155583-A1 AFFINITY ILLUDOFULVENE CONJUGATES AF CHEMICALS, LLC 2021-05-27 — — US disclosed
US-20210077425-A1 AFFINITY MEDICANT CONJUGATE AF CHEMICALS, LLC (US) 2021-03-18 — — US disclosed
EP-3667323-A1 METHODS, COMPOSITIONS AND DEVICES FOR TREATING CANCER WITH ILLUDOFULVENES Kelner, Michael (US) 2020-06-17 — — 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 (4 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-11160807-B1 Methods, compositions and devices for treating cancer with illudofulvenes MYC, MYCBP, TP53 APLNR 37/4885GHSR 890/4885MC4R 2996/4885
US-11591295-B2 Affinity illudofulvene conjugates OGFR, TNFSF11, FCER2 APLNR 95/4885GHSR 401/4885MC4R 422/4885
US-12023339-B2 Methods, compositions and devices for treating cancer with illudofulvenes MYC, MYCBP, TP53 APLNR 37/4885GHSR 890/4885MC4R 2996/4885
US-20210155583-A1 AFFINITY ILLUDOFULVENE CONJUGATES OGFR, TNFSF11, FCER2 APLNR 95/4885GHSR 401/4885MC4R 422/4885

“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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