SCHEMBL17829977

SCHEMBL17829977

CC(=O)OC(CCCO)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TRPV1 Q8NER1 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
ALOX5 P09917 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PRKCA P17252 2/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2230506 0.87 TSHR (0.46) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL10786488 0.85 TSHR (0.43) TSHRTRPV1CHRM2CHRM4CHRM1
Acetic Acid SCHEMBL27456969 0.82 TSHR (0.31) TSHRTRPV1ALOX15
SCHEMBL10782810 0.82 TSHR (0.50) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL11140994 0.81 ALDH1A1 (0.44) TSHRPRKCALMNAALDH1A1
SCHEMBL542324 0.79 TSHR (0.48) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL27858695 0.79 TSHR (0.39) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL6895761 0.79 TSHR (0.39) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL8004205 0.79 SMPD1 (0.48) MAPTPRKCAALDH1A1
SCHEMBL11483358 0.77 SMPD1 (0.52) MAPTPRKCALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694088-B2 Pro-drug form (P2PDox) of the highly potent 2-pyrrolinodoxorubicin conjugated to antibodies for targeted therapy of cancer IMMUNOMEDICS, INC. (US) 2017-07-04 US disclosed
US-20170000896-A1 PRO-DRUG FORM (P2PDOX) OF THE HIGHLY POTENT 2-PYRROLINODOXORUBICIN CONJUGATED TO ANTIBODIES FOR TARGETED THERAPY OF CANCER IMMUNOMEDICS, INC. 2017-01-05 US disclosed
US-9486536-B2 Pro-drug form (P2PDOX) of the highly potent 2-pyrrolinodoxorubicin conjugated to antibodies for targeted therapy of cancer IMMUNOMEDICS, INC. (US) 2016-11-08 US disclosed
US-20160166708-A1 PRO-DRUG FORM (P2PDOX) OF THE HIGHLY POTENT 2-PYRROLINODOXORUBICIN CONJUGATED TO ANTIBODIES FOR TARGETED THERAPY OF CANCER IMMUNOMEDICS, INC. 2016-06-16 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 (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-20160166708-A1 PRO-DRUG FORM (P2PDOX) OF THE HIGHLY POTENT 2-PYRROLINODOXORUBICIN CONJUGATED TO ANTIBODIES FOR TARGETED THERAPY OF CANCER P2RX2, ENTPD1, P2RX1 TSHR 1173/4885TRPV1 1423/4885CHRM2 3248/4885
US-20170000896-A1 PRO-DRUG FORM (P2PDOX) OF THE HIGHLY POTENT 2-PYRROLINODOXORUBICIN CONJUGATED TO ANTIBODIES FOR TARGETED THERAPY OF CANCER P2RX2, ENTPD1, P2RX1 TSHR 1173/4885TRPV1 1423/4885CHRM2 3248/4885

“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.