SCHEMBL30278554

SCHEMBL30278554

CC1(C)CC=C(c2nccs2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.35
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA5 P31644 3/20 0.35
▸ GABRA3 P34903 3/20 0.35
▸ GABRA2 P47869 3/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ SPHK2 Q9NRA0 1/20 0.32
▸ SPHK1 Q9NYA1 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ EEF2K O00418 1/20 0.31
▸ SMPD3 Q9NY59 1/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ GABRG3 Q99928 1/20 0.30
▸ ADORA2A P29274 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
SCHEMBL30278463 0.81 SLC6A4 (0.38) PDPK1SLC6A4SLC6A3KDM5BADRB2
SCHEMBL30278452 0.78 S1PR1 (0.36) SLC6A4SLC6A3ADRB2
SCHEMBL629668 0.76 PDPK1 (0.32) PDPK1
SCHEMBL30775190 0.67 LATS1 (0.36) KDM5BHSP90AA1
SCHEMBL25933101 0.66 PIK3CA (0.37) PDPK1LOXL2CYP2A6ADORA2AADORA1
SCHEMBL1198978 0.66 SIGMAR1 (0.43) PDPK1
SCHEMBL30278531 0.65 LPL (0.44) CYP2A6
SCHEMBL15595033 0.64 PDPK1 (0.35) PDPK1LOXL2CYP2A6ADORA2AADORA1
SCHEMBL1115179 0.64 HSP90AA1 (0.40) KDM5BADORA2AHSP90AA1
SCHEMBL102331 0.63 PDPK1 (0.59) PDPK1ADRB2SMPD3LOXL2CYP2A6

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
US-20250376452-A1 17-Beta-Hydroxysteroid Dehydrogenase Type 13 Inhibitors and Methods of Use Thereof ENANTA PHARM INC (US) 2025-12-11 — — US disclosed
US-12384753-B2 17-beta-hydroxysteroid dehydrogenase type 13 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2025-08-12 — — US disclosed
EP-4387603-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2024-06-26 — — EP disclosed
CN-118103038-A 17 Beta-hydroxysteroid dehydrogenase 13 inhibitors and methods of use thereof 英安塔制药有限公司 2024-05-28 — — CN disclosed
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 — — US disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 — — 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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 GABRA1 2448/4885GABRG2 2180/4885GABRB3 924/4885
US-20250376452-A1 17-Beta-Hydroxysteroid Dehydrogenase Type 13 Inhibitors and Methods of Use Thereof HSD17B1, HSD17B13, HSD17B3 GABRA1 2448/4885GABRG2 2180/4885GABRB3 924/4885
US-12384753-B2 17-beta-hydroxysteroid dehydrogenase type 13 inhibitors and methods of use thereof HSD17B1, HSD17B13, HSD17B3 GABRA1 2448/4885GABRG2 2180/4885GABRB3 924/4885

“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.

Send feedback