SCHEMBL22482844

SCHEMBL22482844

N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H]1[C@H](OC(=O)[C@H](N)Cc2c[nH]c3ccccc23)[C@@H](COC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)O[C@H]1n1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MPO P05164 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ SOS1 Q07889 2/20 0.38
▸ KRAS P01116 1/20 0.38
▸ HINT1 P49773 1/20 0.37
▸ RUVBL1 Q9Y265 2/20 0.36
▸ DPP4 P27487 2/20 0.36
▸ NT5E P21589 1/20 0.36
▸ P2RY6 Q15077 1/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ MC4R P32245 2/20 0.36

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
SCHEMBL22482959 1.00 TACR1 (0.42) TACR1KMT2AMEN1KDM4ELMNA
SCHEMBL22482861 1.00 TACR1 (0.42) TACR1KMT2AMEN1KDM4ELMNA
SCHEMBL18894572 1.00 TACR1 (0.42) TACR1KMT2AMEN1KDM4ELMNA
SCHEMBL22482958 1.00 TACR1 (0.42) TACR1KMT2AMEN1KDM4ELMNA
SCHEMBL24080578 0.91 TACR1 (0.39) TACR1KMT2AMEN1KDM4ELMNA
SCHEMBL24080579 0.91 TACR1 (0.39) TACR1KMT2AMEN1KDM4ELMNA
SCHEMBL18894570 0.89 P2RY6 (0.48) TACR1KMT2AMEN1KDM4ELMNA
SCHEMBL22482843 0.83 TACR1 (0.49) TACR1MAPT
SCHEMBL29478061 0.77 KDM4E (0.52) TACR1KMT2AMEN1KDM4ELMNA
SCHEMBL18913375 0.77 KDM4E (0.52) TACR1KMT2AMEN1KDM4ELMNA

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-20220125820-A1 DRUG FORMULATIONS FOR CANCER TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-28 — — US disclosed
US-11191774-B2 Drug formulations for cancer treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-07 — — US disclosed
US-20200306284-A1 DRUG FORMULATIONS FOR CANCER TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-10-01 — — 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-20220125820-A1 DRUG FORMULATIONS FOR CANCER TREATMENT RNMT, NTPCR, SYNCRIP TACR1 4569/4885KMT2A 980/4885MEN1 220/4885
US-20200306284-A1 DRUG FORMULATIONS FOR CANCER TREATMENT RNMT, NTPCR, SYNCRIP TACR1 4569/4885KMT2A 980/4885MEN1 220/4885
US-11191774-B2 Drug formulations for cancer treatment RNMT, NTPCR, SYNCRIP TACR1 4569/4885KMT2A 980/4885MEN1 220/4885

“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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