Sugi Predict

Sugi Predict / Compounds / SCHEMBL16057294

SCHEMBL16057294

SCHEMBL16057294

CNC[C@H](C(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ KISS1R Q969F8 4/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SLC7A5 Q01650 1/20 0.35
▸ ANPEP P15144 1/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33

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
SCHEMBL17476051 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1CYP2D6CYP2C19
SCHEMBL16057295 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL8431535 0.81 TP53 (0.38) SLC1A3SLC1A2SLC1A1CYP2D6CYP2C19
SCHEMBL24920451 0.78 KISS1R (0.38) SLC1A3SLC1A2SLC1A1CYP2D6CYP2C19
SCHEMBL23342645 0.76 SMN1; SMN2 (0.43) KISS1RANPEP
SCHEMBL23018947 0.76 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1TDP1KISS1R
SCHEMBL28838600 0.76 SMN1; SMN2 (0.43) KISS1RANPEP
SCHEMBL15592500 0.75 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1CYP2D6CYP2C19
SCHEMBL17590427 0.74 — —
SCHEMBL10065855 0.74 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 — — EP disclosed
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 — — US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 — — US disclosed
EP-4208261-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. (US) 2023-07-12 — — EP disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 — — CN disclosed
CN-116209438-A Treatment of malignant diseases with SHP2 mutations using SOS1 inhibitors 锐新医药公司 2023-06-02 — — CN disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 — — US disclosed
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 — — CN disclosed
CN-115873020-A RAS inhibitors 锐新医药公司 2023-03-31 — — CN disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 — — CN disclosed
US-20170137439-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-18 — — US disclosed
US-20170136019-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-18 — — US disclosed
US-9586937-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2017-03-07 — — US disclosed
US-20160375022-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-12-29 — — US disclosed
US-20160347738-A1 sGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2016-12-01 — — US disclosed
US-9481689-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2016-11-01 — — US disclosed
CN-105408328-A sGC stimulators IRONWOOD PHARMACEUTICALS INC 2016-03-16 — — CN disclosed
US-20160031903-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-02-04 — — US disclosed
EP-2970243-A2 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 — — 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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 SLC1A3 3524/4885SLC1A2 3554/4885SLC1A1 3692/4885
US-20170137439-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 SLC1A3 3524/4885SLC1A2 3554/4885SLC1A1 3692/4885
US-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS SLC1A3 4811/4885SLC1A2 4867/4885SLC1A1 4838/4885
US-20160347738-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 SLC1A3 3524/4885SLC1A2 3554/4885SLC1A1 3692/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR SLC1A3 4345/4885SLC1A2 4607/4885SLC1A1 4588/4885
US-20170136019-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 SLC1A3 3524/4885SLC1A2 3554/4885SLC1A1 3692/4885
US-20160375022-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 SLC1A3 3524/4885SLC1A2 3554/4885SLC1A1 3692/4885
US-20160031903-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 SLC1A3 3524/4885SLC1A2 3554/4885SLC1A1 3692/4885

“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.