SCHEMBL31076307

SCHEMBL31076307

Cc1cncc([C@H]2C[C@@H]2C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.49
HCAR2 Q8TDS4 1/20 0.44
FFAR4 Q5NUL3 4/20 0.40
ROCK2 O75116 1/20 0.39
CYP2A6 P11509 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL32677647 1.00 FFAR1 (0.49) FFAR1HCAR2FFAR4ROCK2CYP2A6
SCHEMBL31355230 0.85 CYP11B2 (0.41) FFAR1HCAR2ROCK2CYP2A6ATM
SCHEMBL7002531 0.80 FFAR1 (0.56) FFAR1FFAR4ALDH1A1CYP1A2CYP3A4
SCHEMBL7002528 0.80 FFAR1 (0.56) FFAR1FFAR4ALDH1A1CYP1A2CYP3A4
SCHEMBL24737409 0.80 FFAR1 (0.47) FFAR1HCAR2ALDH1A1
SCHEMBL17178132 0.80 POLB (0.44) FFAR1HCAR2ALDH1A1
SCHEMBL17173890 0.80 POLB (0.44) FFAR1HCAR2ALDH1A1
SCHEMBL18181690 0.80 POLB (0.44) FFAR1HCAR2ALDH1A1
SCHEMBL30910240 0.80 HCAR2 (0.44) FFAR1HCAR2FFAR4CYP11B1CYP11B2
SCHEMBL32677589 0.80 HCAR2 (0.44) FFAR1HCAR2FFAR4CYP11B1CYP11B2

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
WO-2026041636-A1 MACROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2026-02-26 WO disclosed
US-20250376482-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-12-11 US disclosed
US-12247036-B2 Tricyclic compounds for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-03-11 US disclosed
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-12-19 US disclosed
EP-4469164-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
WO-2024169914-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-08-22 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 (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-20250376482-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B FFAR1 2784/4885HCAR2 1040/4885FFAR4 3132/4885
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B FFAR1 2784/4885HCAR2 1040/4885FFAR4 3132/4885
US-12247036-B2 Tricyclic compounds for the treatment of cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B FFAR1 2784/4885HCAR2 1040/4885FFAR4 3132/4885

“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.