SCHEMBL22122229

SCHEMBL22122229

O=S1(=O)CCN(Cc2c[c]ccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 3/20 0.51
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPC1 O15118 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LTA4H P09960 2/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ JAK1 P23458 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.37

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
SCHEMBL27991037 0.84 SIGMAR1 (0.40) KMT2AMEN1LMNASIGMAR1CA12
SCHEMBL6293449 0.82 SIGMAR1 (0.46) LTA4HSIGMAR1
SCHEMBL23113743 0.81 HRH3 (0.47) CYP2C19ALDH1A1KDM4ESIGMAR1MC4R
SCHEMBL845155 0.81 HRH3 (0.52) CYP2C19ALDH1A1KDM4ESIGMAR1
SCHEMBL61472 0.80 MC4R (0.62) LMNANPC1ALDH1A1RAB9AKDM4E
SCHEMBL27729397 0.80 HRH3 (0.50) CYP2C19ALDH1A1KDM4ESIGMAR1
SCHEMBL161004 0.80 HRH3 (0.55) CYP2C19ALDH1A1KDM4ESIGMAR1
SCHEMBL2064262 0.80 KMT2A (0.64) KMT2AMEN1LMNACYP1A2CYP2C19
SCHEMBL3319068 0.79 KMT2A (0.68) KMT2AMEN1LMNACYP1A2CYP2C19
SCHEMBL27729240 0.78 HRH3 (0.53) CYP2C19ALDH1A1KDM4ESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 — — EP claimed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 — — CN claimed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 — — WO claimed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 — — US claimed
US-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-02 — — US disclosed
EP-3897644-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2021-10-27 — — EP disclosed
CN-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 — — CN disclosed
CN-107428749-B Substituted imidazo [1,2- α ] pyridin-2-ylamine compounds, pharmaceutical compositions and methods of use thereof 上海复旦张江生物医药股份有限公司 2020-07-24 — — CN disclosed
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. 2020-06-25 — — US disclosed
WO-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 — — 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 (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-20240139185-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS KMT2A 4140/4885MEN1 1708/4885LMNA 4074/4885
US-20200197391-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF KRAS, NRAS, HRAS KMT2A 4140/4885MEN1 1708/4885LMNA 4074/4885

“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.

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