SCHEMBL29774856

SCHEMBL29774856

COc1cccc(NC[C@@H]2C[C@@H](F)CN2C(=O)OC(C)(C)C)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.40
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ CFD P00746 7/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ ITGA4 P13612 5/20 0.37
▸ DPP4 P27487 1/20 0.35
▸ FAP Q12884 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ ABCB1 P08183 1/20 0.34

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
SCHEMBL18555832 0.87 ITGA4 (0.42) CFDITGA4GRIN1GRIN2B
SCHEMBL29774873 0.83 CFD (0.50) CFDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL19540704 0.81 ECE1 (0.40) CFDCCR3ITGA4DPP4FAP
SCHEMBL19540504 0.79 HDAC2 (0.41) CFDCCR3ITGA4CYP1A2POLB
SCHEMBL19540705 0.76 MAPT (0.39) CYP1A2POLBCYP3A4CYP2C19
SCHEMBL5152726 0.76 POLB (0.41) POLBMEN1KMT2A
SCHEMBL1298592 0.75 ALDH1A1 (0.38) TGFBR1ITGA4DPP4FAP
SCHEMBL29774888 0.74 CFD (0.55) CFD
SCHEMBL29841056 0.74 CFD (0.60) CFDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL28710431 0.74 CFD (0.60) CFDCYP1A2POLBCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338230-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2025-06-24 — — US disclosed
US-20240199583-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. 2024-06-20 — — US disclosed
US-11926617-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-03-12 — — US disclosed
US-20220315562-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. 2022-10-06 — — US disclosed
US-11407738-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2022-08-09 — — 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 (5 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-12338230-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH TGFBR1 1028/4885JAK2 1224/4885JAK3 1376/4885
US-20220315562-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH TGFBR1 1028/4885JAK2 1224/4885JAK3 1376/4885
US-11407738-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH TGFBR1 1028/4885JAK2 1224/4885JAK3 1376/4885
US-20240199583-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH TGFBR1 1028/4885JAK2 1224/4885JAK3 1376/4885
US-11926617-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH TGFBR1 1028/4885JAK2 1224/4885JAK3 1376/4885

“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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