Sugi Predict

Sugi Predict / Compounds / SCHEMBL22158010

SCHEMBL22158010

SCHEMBL22158010

CSc1ccc(C2=C(c3ccccc3)C(=O)OC2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.64
▸ PTGS1 P23219 4/20 0.54
▸ GSK3B P49841 1/20 0.42
▸ PTGES O14684 2/20 0.39
▸ GAA P10253 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AR P10275 1/20 0.35
▸ CCKAR P32238 1/20 0.34
▸ CCKBR P32239 1/20 0.34
▸ LMNA P02545 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
SCHEMBL6348979 0.86 PTGS2 (0.71) PTGS2PTGS1PTGESKDM4EMEN1
SCHEMBL7566036 0.73 PTGS2 (0.57) PTGS2PTGS1GSK3BGAARAB9A
Bicarbonate SCHEMBL28112658 0.69 PTGS2 (0.60) PTGS2GSK3BRAB9AKDM4EMAPT
Bicarbonate SCHEMBL29125500 0.69 PTGS2 (0.60) PTGS2GSK3BRAB9AKDM4EMAPT
SCHEMBL403028 0.69 PTGS2 (0.63) PTGS2PTGS1GSK3BGAARAB9A
SCHEMBL17283465 0.69 PTGS2 (0.63) PTGS2PTGS1GSK3BGAARAB9A
SCHEMBL5751033 0.68 KMT2A (0.71) PTGS2PTGS1ALDH1A1KMT2A
SCHEMBL6604670 0.68 PTGS2 (0.80) PTGS2PTGS1
Hydrogen Sulfide SCHEMBL19086306 0.67 PTGS2 (0.61) PTGS2PTGS1GSK3BGAARAB9A
SCHEMBL7878297 0.67 PTGS2 (0.62) PTGS2PTGS1GSK3BGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11872206-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2024-01-16 — — US disclosed
US-11872206-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2024-01-16 — — US disclosed
US-11872206-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2024-01-16 — — US disclosed
US-11617735-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-04-04 — — US disclosed
US-11576890-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-02-14 — — US disclosed
US-11576890-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-02-14 — — US disclosed
US-11559509-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-01-24 — — US disclosed
US-11559509-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2023-01-24 — — US disclosed
US-20220409568-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE Tremeau Pharmaceuticals, Inc. (US) 2022-12-29 — — US disclosed
US-20220409568-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE Tremeau Pharmaceuticals, Inc. (US) 2022-12-29 — — US disclosed
US-20210236455-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE Tremeau Pharmaceuticals, Inc. (US) 2021-08-05 — — US disclosed
US-20210236455-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE Tremeau Pharmaceuticals, Inc. (US) 2021-08-05 — — US disclosed
US-10987337-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2021-04-27 — — US disclosed
US-10987337-B2 Purified forms of rofecoxib, methods of manufacture and use Tremeau Pharmaceuticals, Inc. (US) 2021-04-27 — — US disclosed
US-20200206182-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE Tremeau Pharmaceuticals, Inc. 2020-07-02 — — US disclosed
US-20200206182-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE Tremeau Pharmaceuticals, Inc. 2020-07-02 — — 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 (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-10987337-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 PTGS2 764/4885PTGS1 581/4885GSK3B 52/4885
US-20210236455-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE ITGA2B, F13B, F11 PTGS2 764/4885PTGS1 581/4885GSK3B 52/4885
US-11872206-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 PTGS2 764/4885PTGS1 581/4885GSK3B 52/4885
US-20200206182-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE ITGA2B, F13B, F11 PTGS2 764/4885PTGS1 581/4885GSK3B 52/4885
US-11617735-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 PTGS2 764/4885PTGS1 581/4885GSK3B 52/4885
US-11559509-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 PTGS2 764/4885PTGS1 581/4885GSK3B 52/4885
US-11576890-B2 Purified forms of rofecoxib, methods of manufacture and use ITGA2B, F13B, F11 PTGS2 764/4885PTGS1 581/4885GSK3B 52/4885
US-20220409568-A1 PURIFIED FORMS OF ROFECOXIB, METHODS OF MANUFACTURE AND USE ITGA2B, F13B, F11 PTGS2 764/4885PTGS1 581/4885GSK3B 52/4885

“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.