SCHEMBL25891707

SCHEMBL25891707

CCc1cc(C)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.38
LIPG Q9Y5X9 9/20 0.38
HIF1A Q16665 2/20 0.34
UCHL1 P09936 1/20 0.33
CXCR2 P25025 1/20 0.33
NQO1 P15559 1/20 0.32
POR P16435 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL9977366 0.85 LPL (0.33) LPLLIPGHIF1ACXCR2TAAR1
SCHEMBL19513403 0.85 LPL (0.33) LPLLIPGHIF1AUCHL1CXCR2
SCHEMBL23057746 0.81 LPL (0.37) LPLLIPGHIF1AUCHL1CXCR2
SCHEMBL31111473 0.81 HSD17B3 (0.37) LPLLIPGHIF1AUCHL1CXCR2
SCHEMBL13202158 0.81 CXCR2 (0.47) LPLLIPGUCHL1CXCR2MAPT
SCHEMBL15450937 0.81 LIPG (0.40) LPLLIPGHIF1AUCHL1CA1
SCHEMBL136492 0.80 HPGD (0.35) HIF1AUCHL1CXCR2
SCHEMBL21358544 0.79 LPL (0.35) LPLLIPGCXCR2RXFP1
SCHEMBL26606881 0.79 HIF1A (0.37) LPLLIPGHIF1ACXCR2
SCHEMBL29424563 0.78 LPL (0.38) LPLLIPGHIF1AMAPTCA1

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
US-20240025897-A1 CRYSTALLINE HYDRATE OF A JAK INHIBITOR COMPOUND THERAVANCE BIOPHARMA R&D IP LLC (US) 2024-01-25 US disclosed
US-20230322774-A1 DIMETHYL AMINO AZETIDINE AMIDES AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-12 US disclosed
US-11713315-B2 5 to 7 membered heterocyclic amides as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-01 US disclosed
US-11702415-B2 Crystalline hydrate of a JAK inhibitor compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-18 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 (4 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-20230322774-A1 DIMETHYL AMINO AZETIDINE AMIDES AS JAK INHIBITORS JAK1, JAK2, JAK3 LPL 4841/4885LIPG 4081/4885HIF1A 884/4885
US-11713315-B2 5 to 7 membered heterocyclic amides as JAK inhibitors JAK1, JAK2, JAK3 LPL 4770/4885LIPG 3975/4885HIF1A 1714/4885
US-11702415-B2 Crystalline hydrate of a JAK inhibitor compound JAK1, JAK2, JAK3 LPL 4738/4885LIPG 3871/4885HIF1A 332/4885
US-20240025897-A1 CRYSTALLINE HYDRATE OF A JAK INHIBITOR COMPOUND JAK1, JAK2, JAK3 LPL 4738/4885LIPG 3871/4885HIF1A 332/4885

“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.