SCHEMBL22307900

SCHEMBL22307900

O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H]1CO1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.59
ALPI P09923 1/20 0.59
ALPG P10696 1/20 0.59
AIMP2 Q13155 5/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
P2RX7 Q99572 2/20 0.48
SIGMAR1 Q99720 3/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
OPRD1 P41143 1/20 0.45

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
SCHEMBL22307899 1.00 ALPL (0.59) ALPLALPIALPGAIMP2KDM4E
SCHEMBL22307492 1.00 ALPL (0.59) ALPLALPIALPGAIMP2KDM4E
SCHEMBL22307416 0.87 ALPL (0.77) ALPLALPIALPGKDM4ELMNA
SCHEMBL22307450 0.85 ALPL (0.53) ALPLALPIALPGAIMP2KDM4E
SCHEMBL22307415 0.84 ALPL (0.49) ALPLALPIALPGLMNAP2RX7
SCHEMBL22307411 0.82 NPC1 (0.54) ALPLALPIALPGP2RX7SIGMAR1
SCHEMBL22307430 0.82 P2RX7 (0.48) ALPLALPIALPGAIMP2LMNA
SCHEMBL4028498 0.81 CCR3 (0.66) ALPLALPIALPGLMNASIGMAR1
SCHEMBL22308374 0.79 LOXL2 (0.47) ALPLALPIALPGLMNAPOLB
SCHEMBL22307477 0.79 ALPL (0.46) ALPLALPIALPGP2RX7SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 US disclosed
US-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 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-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS ALPL 4807/4885ALPI 4014/4885ALPG 4626/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS ALPL 4612/4885ALPI 2854/4885ALPG 3735/4885

“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.