Sugi Predict

Sugi Predict / Compounds / SCHEMBL16972292

SCHEMBL16972292

SCHEMBL16972292

CC1(C)OB(c2cc(Cl)cc3cc[nH]c23)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 3/20 0.36
▸ PGR P06401 3/20 0.36
▸ AHR P35869 3/20 0.35
▸ F7 P08709 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ F3 P13726 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ TNF P01375 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ LPL P06858 2/20 0.33
▸ LIPG Q9Y5X9 2/20 0.33
▸ IKBKB O14920 2/20 0.32
▸ CHUK O15111 2/20 0.32
▸ CMA1 P23946 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ BTK Q06187 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
SCHEMBL21624076 0.86 LPL (0.33) LPLLIPG
SCHEMBL21624119 0.83 LPL (0.39) NR3C1PGRAHRTNFRIPK1
SCHEMBL31481837 0.79 MEN1 (0.37) LPLLIPG
SCHEMBL29469161 0.76 AHR (0.42) NR3C1PGRAHRLPLLIPG
SCHEMBL2028185 0.76 AHR (0.42) NR3C1PGRAHRLPLLIPG
SCHEMBL30892215 0.76 RHEB (0.43) AHRF7LTA4HF3NR4A2
SCHEMBL18552610 0.76 RHEB (0.43) AHRF7LTA4HF3NR4A2
SCHEMBL982572 0.76 AHR (0.39) AHRLPLLIPG
SCHEMBL15563246 0.74 LPL (0.33) LPLLIPG
SCHEMBL31527374 0.72 TNF (0.34) NR3C1PGRTNFRIPK1LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428421-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 — — US disclosed
WO-2025080608-A1 DESAMIDE ISOTRYPTAMINE TETRACYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-17 — — WO disclosed
WO-2025080609-A1 ISOTRYPTAMINE TETRACYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-17 — — WO disclosed
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-03-28 — — US disclosed
CN-111433205-B Polycyclic compounds as allosteric SHP2 inhibitors 锐新医药公司 2024-01-19 — — CN disclosed
CN-116987080-A Macrocyclic compounds with heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-11-03 — — CN disclosed
EP-3724189-B1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-10-04 — — EP disclosed
US-11673901-B2 Polycyclic compounds as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-06-13 — — US disclosed
US-11634435-B2 — — 2023-04-25 — — US disclosed
CN-110845498-B Macrocyclic compounds having heterocyclic P2' groups as factor XIA inhibitors 百时美施贵宝公司 2023-02-17 — — CN disclosed
WO-2019118909-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2019-06-20 — — WO disclosed
EP-3392249-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2018-10-24 — — EP disclosed
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 — — US disclosed
EP-3099687-B1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-07-04 — — EP disclosed
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-05 — — US disclosed
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-22 — — US disclosed
EP-3099687-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-12-07 — — EP disclosed
US-9453018-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 — — US disclosed
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-04-07 — — US disclosed
WO-2015116886-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-06 — — 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 (8 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-11673901-B2 Polycyclic compounds as allosteric SHP2 inhibitors PTPN18, PTPN1, PTPRJ NR3C1 1426/4885PGR 3253/4885AHR 458/4885
US-20160368923-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NR3C1 4203/4885PGR 1773/4885AHR 3035/4885
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NR3C1 4203/4885PGR 1773/4885AHR 3035/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 NR3C1 4203/4885PGR 1773/4885AHR 3035/4885
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPRJ NR3C1 1426/4885PGR 3253/4885AHR 458/4885
US-20170002006-A1 MACROCYCLES WITH HETROCYCLIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI2, F2, TFPI NR3C1 3917/4885PGR 1813/4885AHR 3367/4885
US-20160096839-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 NR3C1 4203/4885PGR 1773/4885AHR 3035/4885
US-11634435-B2 — PTPN18, PTPN6, PTPN5 NR3C1 1037/4885PGR 2955/4885AHR 816/4885

“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.