SCHEMBL17157178

SCHEMBL17157178

CN1CCCCC1(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.37
CYP2C19 P33261 2/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL17171332 1.00 FFAR3 (0.37) FFAR3CYP2C19TSHRNFKB1MEN1
Hydrochloric Acid SCHEMBL27092759 0.98 FFAR3 (0.36) FFAR3CYP2C19TSHRNFKB1KMT2A
SCHEMBL369709 0.93 FFAR3 (0.39) FFAR3CYP2C19TSHRNFKB1
SCHEMBL2275708 0.93 FFAR3 (0.39) FFAR3CYP2C19TSHRNFKB1
SCHEMBL359077 0.93 FFAR3 (0.39) FFAR3CYP2C19TSHRNFKB1
Hydrochloric Acid SCHEMBL19022236 0.91 FFAR3 (0.37) FFAR3CYP2C19TSHRNFKB1
Hydrochloric Acid SCHEMBL19022235 0.91 FFAR3 (0.37) FFAR3CYP2C19TSHRNFKB1
SCHEMBL28616020 0.84
Hydrochloric Acid SCHEMBL11303377 0.82 FFAR3 (0.40) FFAR3CYP2C19TSHRNFKB1
Hydrochloric Acid SCHEMBL11303374 0.82 FFAR3 (0.40) FFAR3CYP2C19TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022070287-A1 MACROCYCLE COMPOUND 旭化成ファーマ株式会社 2022-04-07 WO disclosed
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
US-10159745-B2 Tubulysin derivatives MEDIMMUNE, LLC (US) 2018-12-25 US disclosed
US-20180362519-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2018-12-20 US disclosed
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 WO disclosed
EP-3129362-A1 TUBULYSIN DERIVATIVES Medimmune, LLC (US) 2017-02-15 EP disclosed
US-20160339114-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2016-11-24 US disclosed
US-9427479-B2 Tubulysin derivatives MEDIMMUNE LLC (US) 2016-08-30 US disclosed
US-20150291657-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 US disclosed
WO-2015157594-A1 TUBULYSIN DERIVATIVES MEDIMMUNE LLC (US) 2015-10-15 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 (5 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-10159745-B2 Tubulysin derivatives TEKT1, TWF2, TEK FFAR3 4179/4885CYP2C19 4820/4885TSHR 3572/4885
US-20150291657-A1 TUBULYSIN DERIVATIVES TEKT1, TWF2, TEK FFAR3 4179/4885CYP2C19 4820/4885TSHR 3572/4885
US-20180362519-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION NGLY1, TEK, TEKT1 FFAR3 2962/4885CYP2C19 4730/4885TSHR 2105/4885
US-20160339114-A1 TUBULYSIN DERIVATIVES TEKT1, TWF2, TEK FFAR3 4179/4885CYP2C19 4820/4885TSHR 3572/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 FFAR3 2962/4885CYP2C19 4730/4885TSHR 2105/4885

“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.