SCHEMBL22412343

SCHEMBL22412343

O=C(O)C[C@H]1C[C@@H](OC(F)(F)F)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 5/20 0.34
▸ SLC6A11 P48066 5/20 0.34
▸ SLC6A13 Q9NSD5 5/20 0.34
▸ SLC6A1 P30531 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRR1 P24046 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HSD11B1 P28845 1/20 0.32
▸ FFAR4 Q5NUL3 6/20 0.30
▸ DGAT1 O75907 1/20 0.30
▸ ANPEP P15144 1/20 0.30
▸ ENPEP Q07075 1/20 0.30

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
SCHEMBL22412342 1.00 SLC6A12 (0.34) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL20722063 0.81 FFAR4 (0.33) MAPTFFAR4
SCHEMBL20722064 0.81 FFAR4 (0.33) MAPTFFAR4
SCHEMBL18327254 0.80 SLC6A12 (0.34) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL20722109 0.78 PTGIR (0.38) —
SCHEMBL20722108 0.78 PTGIR (0.38) —
SCHEMBL20722117 0.77 — —
SCHEMBL20721957 0.74 ATF4 (0.39) —
SCHEMBL20722106 0.74 ATF4 (0.39) —
SCHEMBL22411998 0.74 APLNR (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114025844-B Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2022-07-26 — — CN disclosed
CN-114025844-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2022-02-08 — — CN disclosed
EP-3938038-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Calico Life Sciences LLC (US) 2022-01-19 — — EP disclosed
US-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof ABBVIE INC. (US) 2020-12-01 — — US disclosed
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-24 — — US disclosed
WO-2020186199-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-17 — — 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 (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-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof PTPN1, PTPN2, PTPN18 SLC6A12 4767/4885SLC6A11 4764/4885SLC6A13 4783/4885
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 SLC6A12 4767/4885SLC6A11 4764/4885SLC6A13 4783/4885

“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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