SCHEMBL18921015

SCHEMBL18921015

CCC(CC)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.53
KMT2A Q03164 2/20 0.50
MDM4 O15151 2/20 0.50
TP53 P04637 2/20 0.50
EPHX2 P34913 1/20 0.47
TLR2 O60603 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
SCHEMBL30422045 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL20338568 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL18614231 1.00 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL8892308 0.90 KMT2A (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL1564185 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119497 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL1486214 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL1486287 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL118209 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL800060 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4512818-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS Chugai Seiyaku Kabushiki Kaisha (JP) 2025-02-26 EP disclosed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
US-20240156969-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEAGEN INC (US) 2024-05-16 US disclosed
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP disclosed
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
US-11793880-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2023-10-24 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
EP-4074328-A1 INTERMEDIATES OF CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS Seagen Inc. (US) 2022-10-19 EP disclosed
US-20220226482-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEAGEN INC (US) 2022-07-21 US disclosed
EP-3383420-B1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEAGEN INC (US) 2022-03-23 EP disclosed
US-11229708-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2022-01-25 US disclosed
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEATTLE GENETICS, INC. (US) 2019-01-17 US disclosed
EP-3383420-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS Seattle Genetics, Inc. (US) 2018-10-10 EP disclosed
US-20180186860-A1 SYNTHETIC APOLIPOPROTEINS, AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR NANOLIPOPROTEIN PARTICLES FORMATION U.S. DEPARTMENT OF ENERGY 2018-07-05 US disclosed
WO-2017096311-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEATTLE GENETICS, INC. (US) 2017-06-08 WO 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 (8 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS CASP3 3906/4885KMT2A 3145/4885MDM4 441/4885
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS CASP3 3300/4885KMT2A 1822/4885MDM4 476/4885
US-20220226482-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 CASP3 1499/4885KMT2A 2306/4885MDM4 4684/4885
US-11229708-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 CASP3 1499/4885KMT2A 2306/4885MDM4 4684/4885
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 CASP3 1499/4885KMT2A 2306/4885MDM4 4684/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS CASP3 3268/4885KMT2A 4757/4885MDM4 1294/4885
US-20240156969-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 CASP3 1499/4885KMT2A 2306/4885MDM4 4684/4885
US-11793880-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 CASP3 1499/4885KMT2A 2306/4885MDM4 4684/4885

“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.