SCHEMBL2723709

SCHEMBL2723709

COc1cc2ccc(C(O)(c3ccncn3)C(C)C)cc2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 1.00
CYP17A1 P05093 12/20 0.61
CYP2C9 P11712 4/20 0.61
CYP2C19 P33261 4/20 0.61
CYP19A1 P11511 1/20 0.38

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
SCHEMBL15294419 0.86 CYP3A4 (0.76) CYP3A4CYP17A1CYP2C9CYP2C19CYP19A1
SCHEMBL6127065 0.79 CYP3A4 (0.65) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL4027994 0.78 CYP3A4 (0.64) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL4026634 0.78 CYP3A4 (0.64) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL5020196 0.77 CYP3A4 (0.65) CYP3A4CYP17A1CYP2C9CYP2C19
Fumaric Acid SCHEMBL4029499 0.74 CYP3A4 (0.58) CYP3A4CYP17A1CYP2C9CYP2C19
Fumaric Acid SCHEMBL7266706 0.74 CYP3A4 (0.58) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL14757482 0.73 CYP3A4 (1.00) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL5755091 0.72 CYP3A4 (0.56) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL14757461 0.71 CYP3A4 (0.68) CYP3A4CYP17A1CYP2C9CYP2C19

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056855-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-06-16 US claimed
EP-2632903-A2 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2013-09-04 EP claimed
WO-2012058529-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-03 WO claimed
WO-2001013923-A1 MALARIA GPI ANCHORS AS VACCINES ANTI-PARASITIC DRUGS AND FOR USE IN DIAGNOSTICS GEORGETOWN UNIVERSITY (US) 2001-03-01 WO claimed
EP-4168053-A1 COMPOSITIONS AND METHODS FOR TUNABLE REGULATION OF CAS NUCLEASES Obsidian Therapeutics, Inc. (US) 2023-04-26 EP disclosed
US-11629340-B2 DHFR tunable protein regulation OBSIDIAN THERAPEUTICS, INC. (US) 2023-04-18 US disclosed
US-20230092895-A1 TANDEM CD19 CAR-BASED COMPOSITIONS AND METHODS FOR IMMUNOTHERAPY OBSIDIAN THERAPEUTICS, INC. 2023-03-23 US disclosed
US-20230056856-A1 COMPOSITIONS AND METHODS FOR TUNABLE REGULATION OF TRANSCRIPTION OBSIDIAN THERAPEUTICS, INC. (US) 2023-02-23 US disclosed
EP-4087861-A1 COMPOSITIONS AND METHODS FOR TUNABLE REGULATION OF TRANSCRIPTION Obsidian Therapeutics, Inc. (US) 2022-11-16 EP disclosed
CN-115210250-A Compositions and methods for regulatable regulation of transcription 黑曜石疗法公司 2022-10-18 CN disclosed
US-20220213449-A1 DHFR TUNABLE PROTEIN REGULATION OBSIDIAN THERAPEUTICS, INC. (US) 2022-07-07 US disclosed
US-20220175781-A1 CD40L COMPOSITIONS AND METHODS FOR TUNABLE REGULATION OBSIDIAN THERAPEUTICS, INC. (US) 2022-06-09 US disclosed
US-20130261135-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
US-20130261135-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-10-03 US disclosed
EP-2633058-A2 METHOD FOR MASS PRODUCTION OF FACTOR VII/VIIA Hanmi Science Co., Ltd. (KR) 2013-09-04 EP disclosed
EP-2632903-A2 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2013-09-04 EP disclosed
WO-2012058529-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-03 WO disclosed
WO-2012057527-A2 METHOD FOR MASS PRODUCTION OF FACTOR VII/VIIA HANMI HOLDINGS CO., LTD. (KR) 2012-05-03 WO disclosed
WO-2012058529-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-03 WO disclosed
US-20090069357-A1 DEUTERIUM-ENRICHED ICLAPRIM PROTIA, LLC (US) 2009-03-12 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 (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-20090069357-A1 DEUTERIUM-ENRICHED ICLAPRIM SLC10A2, DDHD2, HDHD5 CYP3A4 1925/4885CYP17A1 2428/4885CYP2C9 1460/4885
US-20130261135-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP3A4 558/4885CYP17A1 649/4885CYP2C9 840/4885

“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.