SCHEMBL17099130

SCHEMBL17099130

CC(C)(C)c1ccccc1P(=NC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.49
▸ GAA P10253 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ TSHR P16473 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ RBP4 P02753 3/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 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
SCHEMBL7322208 0.78 CA2 (0.33) NPSR1MEN1KMT2ATSHRKDM4E
SCHEMBL362355 0.76 CA2 (0.44) NPSR1GAAMEN1KMT2AALDH1A1
SCHEMBL7331788 0.75 CA2 (0.33) NPSR1MEN1KMT2ATSHRKDM4E
SCHEMBL7331335 0.74 KMT2A (0.48) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL7346734 0.72 MAPT (0.39) GAAALDH1A1TSHR
SCHEMBL7334090 0.71 ALDH1A1 (0.38) NPSR1GAAMEN1KMT2AALDH1A1
SCHEMBL8902905 0.71 NPSR1 (0.49) NPSR1GAAMEN1KMT2AALDH1A1
SCHEMBL7352882 0.71 POLB (0.36) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL28194592 0.70 USP2 (0.61) NPSR1GAAMEN1KMT2AALDH1A1
SCHEMBL7350255 0.70 TSHR (0.39) GAAMEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3995486-A1 PEPTIDE AND METHOD FOR MANUFACTURING SAME AGC INC. (JP) 2022-05-11 — — EP disclosed
US-20220119440-A1 PEPTIDE AND METHOD FOR MANUFACTURING SAME AGC Inc. (JP) 2022-04-21 — — US disclosed
US-9365522-B2 Pyrazole amide derivative AMGEN INC. (US) 2016-06-14 — — US disclosed
US-20150266824-A1 Pyrazole Amide Derivative TEIJIN LIMITED (JP) 2015-09-24 — — 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-20150266824-A1 Pyrazole Amide Derivative RORC, RORB, RORA NPSR1 2299/4885GAA 3413/4885MEN1 4091/4885
US-20220119440-A1 PEPTIDE AND METHOD FOR MANUFACTURING SAME VIP, RFC2, QRFPR NPSR1 1728/4885GAA 4287/4885MEN1 947/4885

“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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